Introduction

HQStage is a lightweight tool for installing and using HQS software. Want to learn more about what you can do with our software? Explore our quantum simulation use cases or read through the use cases section in this documentation.

Try HQStage in the cloud

The fastest way to explore HQStage (and the full HQS software stack) is to run it directly in your browser on our managed JupyterLab service.

Sign in at https://cloud.quantumsimulations.de
Get free credits (HQ$) at https://cloud.quantumsimulations.de/account/credits
Launch JupyterLab at https://cloud.quantumsimulations.de/notebook
Start using HQS modules with HQStage — no local setup required. We have pre-installed all eligible HQS Modules and common packages like numpy into your Python environment.
Explore our use-cases and examples — downloaded and ready to use in your Notebooks
You can start on our free plan; see Licensing for details

Code for NMR example

Copy and paste the following code into your first jupyter notebook to produce the plot shown in above screenshot

from hqs_nmr_parameters import examples
from hqs_nmr import NMRCalculationParameters, calculate_spectrum
from matplotlib import pyplot as plt
print(f"Available moleucules: {examples.molecules.keys}")
molecule_name = '1,2,4-trichlorobenzene'
molecule_parameters = examples.molecules[molecule_name]
fig, ax = plt.subplots(figsize=(10, 6))
for field_T in [1, 5, 10]:
    result = calculate_spectrum(molecule_parameters, NMRCalculationParameters(field_T=field_T))
    ax.plot(result.spectrum.omegas_ppm, result.spectrum.intensity, label=f"B={field_T}T")
plt.legend()
ax.set_xlabel(r"$\delta$ [ppm]")
ax.set_ylabel("Intensity, arb. units")
ax.set_title(f"Spectrum of {molecule_name}")
plt.show()

Costs and shutting down the server

After starting your server your HQ$ balance will be debited until you shutdown the server. After 6 hours of inactivety we will automatically shut down your server and stop debiting your HQ$ balance.

To shutdown the server click File-->Hub Control Panel-->Stop My Server. This will shutdown your server and your HQ$ balance will no longer be debited.

Local Usage

Prerequisites

Python 3.10+ (use the uv tabs to install Python on the fly)
macOS/Linux
Account on https://cloud.quantumsimulations.de
Get a free trial license at https://cloud.quantumsimulations.de/licenses
Proceed with installation

Installation

While it's best to start in a fresh virtual environment, you can simply pip install HQStage into any existing Python environment. Below we show both options and also our preferred way of using HQStage with uv.

pip install hqstage
hqstage init

python3 -m venv .hqsenv
source .hqsenv/bin/activate
pip install --upgrade pip
pip install hqstage
hqstage init

A simple way to install Python on your system is using uv. To install uv use (this will execute an external script not managed by HQS!)

curl -LsSf <https://astral.sh/uv/install.sh> | sh

Once uv is installed:

uv venv --python 3.11 .hqsenv
source .hqsenv/bin/activate
uv pip install hqstage
hqstage init

Using uv venv --python 3.11 .hqsenv to create a new virtual environment will download and install Python 3.11 if no Python executable is found on your machine.

The hqstage init command will prompt you to create an account and user token on https://cloud.quantumsimulations.de.

Intel's Math Kernel Library

Some HQStage Modules use Intel's MKL library to accelerate mathematical calculations. You can install MKL using

hqstage install mkl

The command ensures that runtime libraries of mkl are present in the correct format in your environments lib folder.

Free trial

To get started with your first quantum computing use case request a free trial. This free trial will add the HQS Spectrum Tools to your account which we will use to run our first example use case: a NMR spectrum prediction.

Running your first use case example: NMR

Install the requried modules

hqstage install ipython jupyter matplotlib mkl hqs_spectrum_tools

and open an ipython interpreter:

ipython

Now, copy paste the following code snippet:

from hqs_nmr_parameters import examples
from hqs_nmr import NMRCalculationParameters, calculate_spectrum
from matplotlib import pyplot as plt
from rdkit.Chem import Draw, MolFromMolBlock
print(f"Available moleucules: {examples.molecules.keys}")
molecule_name = '1,2,4-trichlorobenzene'
molecule_parameters = examples.molecules[molecule_name]
rdkit_mol = MolFromMolBlock(molecule_parameters.structures["Molfile"].content)
mol_image = Draw.MolToImage(rdkit_mol)
fig, ax = plt.subplots(figsize=(10, 6))
for field_T in [1, 5, 10]:
    result = calculate_spectrum(molecule_parameters, NMRCalculationParameters(field_T=field_T))
    ax.plot(result.spectrum.omegas_ppm, result.spectrum.intensity, label=f"B={field_T}T")
plt.legend()
ax.set_xlabel(r"$\delta$ [ppm]")
ax.set_ylabel("Intensity, arb. units")
ax.set_title(f"Spectrum of {molecule_name}")
ax_image = fig.add_axes(
    [0.1,
    0.6,
    0.25,
    0.25]
)
ax_image.imshow(mol_image)
ax_image.axis('off')
plt.show()

This will calculate the NMR spectrum for 1,2,4-trichlorobenzen and produce the following plot:

Downloading and using our examples

Download the use-case and spectrum examples

mkdir -p ~/HQStage/Examples
hqstage download-examples --download-dir ~/HQStage/Examples
jupyter lab --notebook-dir ~/HQStage/Examples

This will open jupyter lab in the folder where we have downladed the HQStage examples in. Fell free to explore the examples andadjust to your needs or continue reading more about our use cases

Use cases

The HQStage Modules are centered around solving quantum mechanical systems. HQStage provides access to a wide range of example systems and Hamiltonians. There is great interest in solving these systems and Hamiltonains on quantum computers.

HQStage examples and modules will be available for three use cases:

Nuclear magnetic resonance
Electron spectroscopy
Magnetic response

As of now we have published the nuclear magnetic resonance (NMR) use case. Electron spectroscopy and magnetic resonance use cases will be published later in 2025.

Nuclear magnetic resonance

Expert users in NMR spectroscopy should use our HQStage modules HQS Spectrum Tools. To get a feeling for NMR spectroscopy try out our end-to-end product HQSpectrum. See here for an example on how to use HQS Spectrum Tools NMR Hamiltonians with Qiskit to simulate NMR on a quantum computer.

In the following we will naswer the question why NMR is a good use case for quantum computers. For this we use our ITBQ use case evaluation.

I. Identify industry problem. NMR is a routine, cornerstone analytical technique for chemistry and pharma, used to determine molecular structure and to quantify mixtures (qNMR). Spectra encode structure through chemical shifts and J‑couplings, which depend on molecular environment (solvent, temperature, pH, field strength) and can be complex, especially for 1H spectra and at lower magnetic fields (benchtop devices).

Principles of an NMR spectrometer. — Fig 1 Principles of an NMR spectrometer: the sample is placed in a strong magnetic field, causing a net magnetization of the nuclear spins by the static field. Pulses from radio frequency coils, in resonance with the Larmor frequency of the nuclei, cause an oscillating transverse magnetization. Measurement of the decaying response after completion of the pulse sequence leads to the NMR spectrum after processing.

Reliable analysis increasingly needs quantum‑mechanical spectrum simulations, but exact spin‑system simulations scale exponentially and require accurate parameters (shifts/couplings) that must be predicted or fitted. Industrial tasks: structure elucidation in solution and quantitative mixture analysis for quality control, metabolomics, and process monitoring—both demand consistent parameter assignment, handling conformers, and integration with existing NMR workflows and libraries. Net assessment: a strong, practical need for accurate, automated, end‑to‑end NMR simulation integrated into current tools, rated as a four‑out‑of‑five‑star industry problem (★★★★☆).

II. Transform to quantum. In the “transform to quantum” step we map molecules onto a quantum-mechanical spin model in which each nucleus is a spin-1/2 in a static magnetic field, and the spectrum is governed by Zeeman terms corrected by chemical shifts and by scalar J-couplings between spins; for diamagnetic molecules in liquids, direct dipolar couplings average out with molecular motion, while for macromolecules/solids they can matter. The resulting model is the Spin Hamiltonian:

\hat{H} = - k \sum γ_{k} (1 + δ_{k}) B \cdot I_{k} + 2 π k > l \sum J_{k l} I_{k} \cdot I_{l}

Operationally, the transformation proceeds by generating 3D geometries and relevant conformers from molecular structure, optimizing them, computing shieldings and J-couplings (e.g., via DFT), Boltzmann-averaging parameters over the conformer ensemble, and converting shieldings to chemical shifts for use in the Hamiltonian; while these procedures are established and largely automated, integration into analysis workflows and accurate treatment of environmental effects still require manual checks. In HQS Spectrum Tools we provide a collection of pre-calculated spin models for a range of molecules with different size and chemical structures. Use these as a starting point for your NMR calculations - classical or on quantum computers. Rating: ★★★★☆.

III. Get the job done without the quantum computer. This section sets a clear classical baseline for quantum advantage in NMR simulations. Exact NMR dynamics scales exponentially with the number of spins, but with HQS Spectrum Tools practical, accurate results are routinely achieved by combining spin‑clustering (grouping strongly interacting spins) with symmetry reductions (e.g., local SU(2)), as implemented in the HQS Spectrum Tools and benchmarked against Spinach. Under typical high‑field conditions, these methods compute 1H spectra for organic molecules with tens of protons in minutes; for example, a 50‑spin Friedelin spectrum converges with clusters of about 8–12 spins. When correlations extend across the whole molecule, simple clustering can miss key features, yet symmetry‑aware exact modes still reproduce spectra for medium‑size systems, as shown for the 22‑spin 1,2‑di‑tert‑butyl‑diphosphane.

Net result: conventional tools already “get the job done” for most NMR scenarios and provide unambiguous, automation‑friendly benchmarks (★★★★★). Quantum hardware is expected to add value mainly in low‑field or densely coupled regimes where long‑range correlations make classical scaling prohibitive; the overall prospect for quantum advantage is rated high but not universal (★★★★☆).

IV. NMR spectral prediction reduces to tracking the time‑dependent transverse magnetization of an N‑spin system, expressed as

⟨ I^{x} (t)⟩ = Tr [I^{x} ρ (t)]

On classical hardware, exact simulation evolves the full

2^{N} ? t im es 2^{N}

density matrix, which scales exponentially with N according to the Liouville–von Neumann equation:

\frac{d}{d t} ρ (t) = - i [H, ρ (t)]

Quantum computers avoid this bottleneck by natively implementing unitary dynamics with N qubits:

ρ (t) = e^{- i H t} ρ (0) e^{+ i H t}

Standard NMR preparation rotates equilibrium magnetization into the transverse plane (e.g., a

\frac{π}{2}

pulse so that

ρ (0) \propto I^{y}

at low temperature), allowing the signal to be expressed as a sum over

I^{y}

eigenstates:

⟨ I^{x} (t)⟩ \propto m_{j}^{y} \sum m_{j}^{y} ⟨ m_{j}^{y} ∣ e^{i H t} I^{x} e^{- i H t} ∣ m_{j}^{y} ⟩

A quantum processor realizes this workflow by preparing

∣ m_{j}^{y} ⟩

, evolving under the Hamitlonian (e.g., via Trotterization or related simulators), and measuring

I^{x}

, requiring only polynomial sampling instead of storing an exponentially large density matrix. The upshot is a concrete route to quantum advantage in precisely the difficult regimes for classical methods—large, highly entangled spin networks, strong long‑range couplings, and low‑field conditions—while remaining aligned with standard NMR pulse logic and measurements.

While quantum computing offers an exponential advantage for NMR simulations, classical algorithms have also been developed to efficiently treat large spin systems. One particularly effective approach is spin clustering (see Fig. (2)), which reduces computational complexity by grouping strongly interacting spins together, enabling approximate solutions. In many cases, especially at high magnetic fields, this method can provide accurate results with cluster sizes of 8–12 spins, even for complex molecules. For example, in the case of Friedelin (Fig. 2), a 50-spin molecule, the cluster-based solver shows good convergence, with minimal spectral changes as the cluster size increases. This demonstrates that for certain systems with relatively weak spin correlations, spin clustering provides a feasible classical approach.

However, when strong correlations extend across the system, as in the case of 1,2-di-tert-butyl-diphosphane (Fig. 2), the limitations of spin clustering become apparent. This molecule consists of 22 coupled spins, where cluster approximations cannot fully capture the spin interactions. Instead, solving the system exactly requires the exploitation of local SU(2) symmetry, which significantly reduces the computational complexity while maintaining full accuracy. Without symmetry considerations, the problem would require the diagonalization of a $2^{22} \times 2^{22}$ -dimensional matrix, making classical exact diagonalization basically intractable. Given examples like 1,2-di-tert-butyl-diphosphane, it seams likely that parameters example and parameter regimes exist in which classical solutions remain challenging. At the same time it is clear that classical solvers can cover a large part of the relevant cases for NMR. Therefore we rate the probability to achieve quantum advantage with four stars (★★★★★).

HQS Spectrum Tools

You can find the detailed User Documentation here.

HQS Quantum Solver

You can find the detailed User Documentation here.

Licensing & Modules

HQStage is an execution environment that can be enriched with a variety of modules. These can be obtained either by loan (test license), purchase (“Academic user/ node locked” licenses) or rental (“Industry user/ node locked” licenses) via download.

A list of the available modules can be found on the modules page where descriptions of the modules are also available. The corresponding licenses can be managed on the HQS Cloud.

As a rule, HQStage modules run on 64-bit systems with current Linux and Windows operating systems and also on current MacOS operating systems on ARM architectures. Please refer to the description or documentation of the modules for any restrictions on the execution environment.

HQS uses open source components (OSS components). These OSS components are listed in the respective module overview page in this documentation, along with the applicable license for the OSS components.

Within HQStage, the corresponding modules can be installed and updated based on the licenses available to the user. To learn more look at our local usage.

The following pages provide an overview of available HQStage modules and different license types.

Licensing

A list of the available modules can be found on the modules page where descriptions of the modules are also available. The corresponding licenses can be managed on the HQS Cloud.

Within HQStage, the corresponding modules can be installed and updated based on the licenses available to the user. To learn more look at our local usage section.

The following pages provide an overview of available HQStage license types.

Obtaining a license

In order to obtain and manage HQStage licenses you have to create an account on the HQS Cloud.

All licenses are bound to our General Terms and Conditions. This General Terms and Conditions always take precedence over this documentation. The following list of available licenses provides only a summary of the licenses defined in the General Terms and Conditions.

When running HQStage and its modules the validity and scope of your licenses will be verified, this requires internet access of the respective machine.

Available Plans

We offer four plans for HQStage and HQS Cloud. A free (trial) plan, a standard (cloud only) plan and premium plans for academic and commercial users. Buying or subscribing to HQStage Modules unlocks the premium plan. See the following table for an overview of the different plans:

Plan	Free	Standard	Premium (Academic)	Premium (Commercial)
HQStage	free trial license.	download of Modules not possible (Cloud only)	purchase selected HQStage Modules (*)	subsribe to selected HQStage Modules (*)
download HQStage	✅	❌	✅	✅
run modules locally	✅	❌	✅	✅
full control over hardware and data	✅	❌	✅	✅
use in your own toolchain	✅	❌	✅	✅
integrate with your own libraries	✅	❌	✅	✅
downloadable modules	✅ HQS Noise App Free ✅ HQS Qorrelator App Free	❌	✅ purchased Modules	✅ subscribed Modules
software updates	during free period	❌	✅ for one year after purchase	✅ During active subscription
HQS Cloud	Try out all modules with up to 10 HQ$ as free credits.	Get cloud access to all modules. Buy computing credits and pay as you go on HQS Cloud.	Purchase of HQStage Modules unlocks cloud access to all modules. Buy computing credits and pay as you go on HQS Cloud.	Subscription to HQStage Modules unlocks cloud access to all modules. Buy computing credits and pay as you go on HQS Cloud.
use HQStage inside your browser	✅	✅	✅	✅
access to all modules	✅	✅	✅	✅
unlimited qubits (**)	❌	✅	✅	✅
install and use PyPI packages	✅	✅	✅	✅
use HQSTasks (HPC power)	✅	✅	✅	✅
free Computing credits	10HQ$ (on request)	❌	600HQ$$ per purchased module point	50HQ$ per subscribed module point per month
buy additional credits	❌	1HQ$ for 5€	1-3 Module points: 1HQ$ for 3€ 4-10 Module points: 1HQ$ for 2€ 10+ Module points: 1HQ$ for 1.5€	1-3 Module points: 1HQ$ for 3€ 4-10 Module points: 1HQ$ for 2€ 10+ Module points: 1HQ$ for 1.5€
Territories	No restrictions.	access will only for customers in selected territories (***)	access will only for customers in selected territories (***)	access will only for customers in selected territories (***)

To learn more about available modules and licensing visit the licensing and modules section of this documentation. The free trial license (free plan) can be requested here. To unlock a advanced plan, obtain a license or upgrade an existing license, please contact us.

(*) See here for module points and pricing
(**) The number of qubits in the HQS Noise App, the HQS Qorrelator App and the HQS Quantum Libraries are restricted in the Free plan. To indicate the difference the Modules are named HQS Noise App Free, HQS Qorrelator App Free and HQS Quantum Libraries Free in this case.
(***) A list of available regions can be found here

Available Licenses

Free trial license

The free trial license includes access to HQStage with the following modules

and the following conditions apply

Duration 6 months - after this period access to the modules will be withdrawn.
The trial license is tied to a specific user and cannot be transferred.
The license can only be activated on one machine at a time. The activated machine can be changed once. Machines can only be activated once for a free trial license. Other users cannot activate the free trial license on a previously activated machine.

You can request a free trial here.

Academic users and institutions

For academic users, HQS offers user-locked and node-locked licenses for purchase (see price list for prices). These licenses are linked to a specific user or one machine at a time respectively.

Academic user-locked license

Users from the academic sector can purchase licenses for HQStage modules (see price list for prices), which are linked to specific users and are subject to the following conditions:

During the first year after purchase, new versions of the Software, if any, will be provided.
The license is bound to certain users. A change of activated users is possible on request. The users must belong to an academic institution (college, university, research institute).
The license can be activated on any number of machines.
Chargeable updates after the end of the first year and support are only possible by separate agreement.

Academic node-locked license

Users from the academic sector can purchase licenses for HQStage modules (see price list for prices), which are linked to specific machines and are subject to the following conditions:

During the first year after purchase, new versions of the Software, if any, will be provided.
The license can be used by any number of users. The users must belong to an academic institution (college, university, research institute).
The license can only be activated on one machine (node) at a time.
Chargeable updates after the end of the first year and support are only possible by separate agreement.

Commercial users and institutions

HQS offers user-locked and node-locked subscription models for business and industrial users. For pricing, please request a quote.

Commercial user-locked license

Commercial users can purchase licenses for HQStage modules on a rental basis (see price list for prices), which are tied to specific users and are subject to the following conditions:

Duration 1 year - after which access to modules will be withdrawn
The license is bound to certain users. A change of activated users is possible on request.
The license can be activated on any number of machines.
New software versions, if any, will be provided during the term.

Commercial node-locked license

Commercial users can purchase licenses for HQStage modules on a rental basis (see price list for prices), which are linked to specific machines and are subject to the following conditions:

Duration 1 year - after which access to modules will be withdrawn
The license can be used by any number of users.
The license can only be activated on one machine (node) at a time.
New software versions, if any, will be provided during the term.

How to purchase a license

The free trial license can be requested here. To obtain another license or upgrade an existing license, please contact us.

Pricing

Academic users and institutions

HQStage uses a point system to indicate the size and complexity of the various Modules. The price depends on the total number of points for the modules selected and the number of users or machines required.

Module Points	User-locked: Price per User	Node-locked: Price per Machine
1 module point	5,000.00 €	5,000.00 €
2 module points	10,000.00 €	10,000.00 €
3 module points	15,000.00 €	15,000.00 €
4 module points	19,750.00 €	19,750.00 €
5 module points	24,500.00 €	24,500.00 €
6 module points	29,250.00 €	29,250.00 €
7 module points	33,750.00 €	33,750.00 €
8 module points	38,250.00 €	38,250.00 €
9 module points	42,750.00 €	42,750.00 €
per additional module point	4,250.00 €	4,250.00 €

For larger numbers of users or machines, please contact us for a quote.

HQStage Modules have the following module points value:

Application	Module Points
HQStage	0 module points
HQS Noise App	1 module point
HQS Qorrelator App	1 module point
HQS Modeling Assistant	1 module point
HQS Spin Mapper	1 module point
HQS Molecules	1 module point
HQS Quantum Libraries	1 module point
HQS Quantum Solver	1 module point
HQS Spectrum Tools	1 module point
HQS Qolossal	1 module point
HQS Raqet	1 module point

Commercial users and institutions

Prices available on request

Territorial restrictions

Some plans (Standard, Premium) are only available in the following countries / regions:


European Union
US
Australia
Japan
Canada
New Zealand
Norway
UK
Switzerland incl Lichtenstein

Modules

At HQS we believe that all steps of the simulation of quantum mechanical systems belong to one of four categories. All our available modules are organized along these categories:

Easy input

When we design our tools, our focus is on creating clear and intuitive interfaces. This approach not only simplifies the use of each tool on its own, but also ensures they can be easily interconnected for more comprehensive tasks. Nonetheless, the inherent complexity associated with scientific software is undeniable. To mitigate this and enhance user experience, we provide the HQS Notebook Assistant. This AI-powered chat assistant simplifies the onboarding and use of our software, making it more accessible and user-friendly.

Model analysis

Before starting a simulation, you need to create a detailed description of the system you want to simulate. This description should be as accurate as possible and compatible with the simulation methods you're using. With HQS Molecules, we make it easy to turn a molecule's name into a 3D model on your computer. Also, our Spin Mapper tool lets you convert an electronic description into a spin-based one. This gives you more options for simulation methods and makes it possible to simulate these systems on quantum computers.

Quantum computer

Quantum advantage has been shown for abstract problems, but practical benefits are still limited. HQS's approach to quantum computing aims to address this by focusing on time evolutions on quantum computers and managing noise in a unique way. The HQS Noise App provides a new way to translate problems from fields like chemistry, materials science, and other quantum mechanical problems to a quantum computer. The HQS Qorrelator App is designed to calculate correlation functions, especially for NMR spectroscopy. With the HQS Quantum Libraries we offer a wide range of modules for advanced quantum computing tasks.

Simulation

Discover the power of quantum simulation with HQS' suite of simulation tools, designed to run on conventional computers. Study many-particle physics problems efficiently with the HQS Quantum Solver. Calculate spectra of spin systems with HQS Spectrum Tools in the context of NMR spectroscopy. Compute properties of materials and devices on a large scale with HQS Qolossal. Tackle the complexity of noisy quantum systems with HQS Raqet.

Available Modules

The following modules are available on HQStage. Following the links you can find the User Documentation of the Modules.

HQS Quantum Libraries

Open-source components

The customer is advised that HQS uses open source components (OSS components). These OSS components are listed in the respective module documentation, stating the applicable license of the OSS components.

To learn more about acquiring a license visit licensing.

HQS Spin Mapper

You can find the detailed User Documentation here.

HQS Molecules

You can find the detailed User Documentation here.

HQS Noise App

You can find the detailed User Documentation here.

HQS Qorrelator App

You can find the detailed User Documentation here.

HQS Quantum Libraries

The HQS Quantum Libraries encompass a comprehensive suite of modules tailored for advanced quantum computing tasks. These modules include algorithms, qonvert, noise-mapper, and the bath-mapper, serving to facilitate quantum algorithm development, compilation, noise emulation, and system-bath interaction modeling.

The HQS Quantum Libraries is a collection of software packages. These are as follows:

Alqorithms: a collection of tools for building quantum circuits. It includes a collection of quantum algorithms for simulating the trotterized time evolution of a quantum system, tools to build circuits for various kinds of measurements, and algorithms to compute two-point correlators. The detailed Documentation of Alqorithms.
Qonvert: a range of classes designed to "convert" circuits and quantum programs, each serving as a Converter with specific functionalities: gate decomposition, noise insertion, optimization and routing. The detailed Documentation of Qonvert.
Noise Mapper: implements noise mapping, the construction of a static noisy algorithm model based on a quantum circuit and physical noise on a quantum computer. The detailed Documentation of the Noise Mapper.
Bath Mapper: creates objects based on the Bloch-Redfield master equation and to manipulate them. The detailed Documentation of the Bath Mapper.
Bath Fitter: fits a given open quantum system with an effective open quantum system with finite degrees of freedom. The detailed Documentation of the Bath Fitter.

The HQS Quantum Libraries need to be used in conjunction with the open-source HQS libraries qoqo and struqture, designed for creating quantum programs, as well as representing Hamiltonians and physical models.

HQS Qolossal

You can find the detailed User Documentation here.

HQS Raqet

You can find the detailed User Documentation here.

Restrictions and OSS

On this page we list

Open source dependencies
Installation hints
System architecture / operating system restrictions

for all HQStage Modules.

Territorial restrictions

Additionally, territorial restrictions apply.

HQS Spin Mapper

Details

Linux only

Please note that HQS Spin Mapper is currently only supported on Linux.

Installation hint

Please note the additional installation instructions for MKL libraries.

OSS components installed by the user

Python packages

HQS Molecules

Details

Linux only

Please note that HQS Molecules is currently only supported on Linux.

Installation hint

Please note the additional installation instructions for HQS Molecules in the documentation.

OSS components installed by the user

Python packages

	Package	License
0	annotated-types	MIT
1	certifi	MPL-2.0
2	charset-normalizer	MIT
4	idna	BSD License
5	networkx	BSD License
6	numpy	BSD License
7	pip	MIT
8	pydantic	MIT
9	pydantic_core	MIT
10	requests	Apache-2.0
11	scipy	BSD License
12	setuptools	MIT
13	typing-inspection	MIT
14	typing_extensions	PSF-2.0
15	urllib3	MIT

Additional binaries

name	license
openbabel	GPL-2.0 license
xtb	LGPL-3.0
crest	LGPL-3.0

HQS Noise App

Details

NO AUTOMATIC SBOM

PLEASE UPDATE THE CICD CONFIG FOR NOISE APP

HQS Qorrelator App

Details

NO AUTOMATIC SBOM

PLEASE UPDATE THE CICD CONFIG FOR QORRELATOR APP

HQS Quantum Libraries

Details

Linux and MacOS only

Please note that the HQS Quantum Libraries are currently only supported on Linux and MacOS.

OSS components installed by the user

	Package	License
0	annotated-types	MIT
1	asteval	MIT
4	build	MIT
5	dill	BSD-3-Clause
7	lmfit	BSD License
9	numpy	BSD License
10	packaging	Apache Software License
11	pip	MIT
13	pydantic	MIT
14	pydantic_core	MIT
15	pyproject_hooks	MIT
17	qoqo	Apache-2.0
18	qoqo-quest	Apache-2.0
19	qoqo_calculator_pyo3	Apache-2.0
20	scipy	BSD License
21	setuptools	MIT
22	struqture-py	Apache-2.0
23	typing-inspection	MIT
24	typing_extensions	PSF-2.0
25	uncertainties	BSD License

Additional dependecy license files

Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:

 1. Redistributions of source code must retain the above copyright
    notice, this list of conditions and the following disclaimer.

 2. Redistributions in binary form must reproduce the above copyright
    notice, this list of conditions and the following disclaimer in the
    documentation and/or other materials provided with the distribution.

 3. The names of its contributors may not be used to endorse or promote 
    products derived from this software without specific prior written 
    permission.

THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. QuEST_LICENSE_FILE MIT License

Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

HQS Quantum Solver

Details

Linux only

Please note that HQS Quantum Solver is currently only supported on Linux.

Installation hint

Please note the additional installation instructions for MKL libraries.

OSS components installed by the user

Python packages

	Package	License
0	annotated-types	MIT
1	attrs	MIT
2	contourpy	BSD License
3	cycler	BSD License
4	fonttools	MIT
6	kiwisolver	BSD License
9	matplotlib	PSF-2.0
10	numpy	BSD License
11	opt_einsum	MIT
12	packaging	Apache Software License
13	pillow	MIT-CMU
14	pip	MIT
15	psutil	BSD-3-Clause
16	pydantic	MIT
17	pydantic_core	MIT
18	pyparsing	MIT
19	python-dateutil	Apache Software License
20	scipy	BSD License
21	setuptools	MIT
22	six	MIT
23	sparse_dot_mkl	MIT
24	typing-inspection	MIT
25	typing_extensions	PSF-2.0

HQS Spectrum Tools

Details

Linux only

Please note that HQS Spectrum Tools is currently only supported on Linux.

Installation hint

Please note the additional installation instructions for MKL libraries.

OSS components installed by the user

Python packages

	Package	License
1	PyYAML	MIT
2	annotated-types	MIT
3	contourpy	BSD License
4	cycler	BSD License
5	fonttools	MIT
8	kiwisolver	BSD License
10	matplotlib	PSF-2.0
11	numpy	BSD License
12	opt_einsum	MIT
13	packaging	Apache Software License
14	pillow	MIT-CMU
15	pip	MIT
16	pydantic	MIT
17	pydantic_core	MIT
18	pyparsing	MIT
19	python-dateutil	Apache Software License
20	qoqo_calculator_pyo3	Apache-2.0
21	scipy	BSD License
22	setuptools	MIT
23	six	MIT
24	struqture-py	Apache-2.0
25	types-PyYAML	Apache-2.0
26	typing_extensions	PSF-2.0

HQS Qolossal

Details

Linux only

Please note that HQS Qolossal is currently only supported on Linux.

Installation hint

Please note the additional installation instructions for MKL libraries.

OSS components installed by the user

Python packages

	Package	License
0	Cerberus	ISC
1	PyYAML	MIT
2	annotated-types	MIT
3	asteval	MIT
4	contourpy	BSD License
6	cycler	BSD License
7	dill	BSD-3-Clause
8	fonttools	MIT
9	kiwisolver	BSD License
13	lmfit	BSD-3-Clause
14	matplotlib	PSF-2.0
15	narwhals	MIT
16	numpy	BSD License
17	packaging	Apache Software License
18	pillow	MIT-CMU
19	pip	MIT
20	plotly	MIT
21	pydantic	MIT
22	pydantic_core	MIT
23	pyparsing	MIT
24	python-dateutil	Apache Software License
26	scipy	BSD License
27	setuptools	MIT
28	six	MIT
29	sparse_dot_mkl	MIT
30	typing-inspection	MIT
31	typing_extensions	PSF-2.0
32	uncertainties	BSD License

HQS Raqet

Details

NO AUTOMATIC SBOM

PLEASE UPDATE THE CICD CONFIG FOR Raqet

Keyboard shortcuts

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