Statistics for topic quantum-chemistry

RepositoryStats tracks 633,980 Github repositories, of these 86 are tagged with the quantum-chemistry topic. The most common primary language for repositories using this topic is Python (53).

Stargazers over time for topic quantum-chemistry

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Most starred repositories for topic quantum-chemistry (view more)

deepchem
deepchem deepchem
1.8k
5.9k
mit
140
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
biology deep-learning hacktoberfest drug-discovery materials-science quantum-chemistry
Created 2015-09-24
10,593 commits to master branch, last one 12 days ago
PennyLaneAI
pennylane PennyLaneAI
643
2.6k
apache-2.0
46
PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.
jax qml cirq python qiskit pytorch quantum autograd tensorflow optimization deep-learning hacktoberfest neural-network machine-learning strawberryfields quantum-chemistry quantum-computing differentiable-computing quantum-machine-learning automatic-differentiation
Created 2018-04-17
5,214 commits to master branch, last one 18 hours ago
qosf
awesome-quantum-software qosf
340
1.6k
cc0-1.0
118
Curated list of open-source quantum software projects.
compilers quantum-assembly quantum-circuits quantum-compiler quantum-computer quantum-programs quantum-annealing quantum-chemistry quantum-computing quantum-algorithms quantum-simulators quantum-circuit-simulator quantum-computer-simulator quantum-programming-language
Created 2018-04-25
396 commits to master branch, last one 2 months ago
quantumlib
OpenFermion quantumlib
386
1.6k
apache-2.0
110
The electronic structure package for quantum computers.
sdk cirq colab python fermion quantum algorithms simulation google-quantum quantum-circuit high-performance jupyter-notebook quantum-chemistry quantum-computing quantum-algorithms quantum-simulation quantum-information quantum-programming electronic-structure quantum-programming-language
Created 2017-09-21
659 commits to master branch, last one 2 days ago
lmmentel
awesome-python-chemistry lmmentel
220
1.2k
other
55
A curated list of Python packages related to chemistry
chemistry simulation python-chemistry quantum-chemistry molecular-dynamics atomistic-simulations computational-chemistry
Created 2017-01-30
179 commits to master branch, last one 5 months ago
psi4
psi4 psi4
458
1.0k
lgpl-3.0
62
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
python physics chemistry c-plus-plus quantum-chemistry computational-chemistry
Created 2013-04-02
16,111 commits to master branch, last one a day ago

Trending repositories for topic quantum-chemistry (view more)

Last 3 days (new repositories)
no newly created repositories trending in the last 3 days
Last 3 days (absolute gain)
grimme-lab
grimme-lab/xtb

Semiempirical Extended Tight-Binding Program Package

635 (+2)
lgpl-3.0
qosf
qosf/awesome-quantum-software

Curated list of open-source quantum software projects.

1,630 (+2)
cc0-1.0
Quantum-Accelerators
Quantum-Accelerators/quacc

quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.

210 (+1)
bsd-3-clause
cp2k
cp2k/cp2k

Quantum chemistry and solid state physics software package

919 (+1)
gpl-2.0
lmmentel
lmmentel/awesome-python-chemistry

A curated list of Python packages related to chemistry

1,203 (+1)
Last 3 days (relative gain)
Quantum-Accelerators
Quantum-Accelerators/quacc

quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.

210 (+0.5%)
bsd-3-clause
grimme-lab
grimme-lab/xtb

Semiempirical Extended Tight-Binding Program Package

635 (+0.3%)
lgpl-3.0
qosf
qosf/awesome-quantum-software

Curated list of open-source quantum software projects.

1,630 (+0.1%)
cc0-1.0
cp2k
cp2k/cp2k

Quantum chemistry and solid state physics software package

919 (+0.1%)
gpl-2.0
lmmentel
lmmentel/awesome-python-chemistry

A curated list of Python packages related to chemistry

1,203 (+0.1%)
Last week (new repositories)
no newly created repositories trending in the last week
Last week (absolute gain)
deepchem
deepchem/deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

5,877 (+15)
mit
PennyLaneAI
PennyLaneAI/pennylane

PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.

2,551 (+7)
apache-2.0
JuDFTteam
JuDFTteam/best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

458 (+2)
cc-by-sa-4.0
PennyLaneAI
PennyLaneAI/qml

Introductions to key concepts in quantum programming, as well as tutorials and implementations from cutting-edge quantum computing research.

589 (+2)
apache-2.0
grimme-lab
grimme-lab/xtb

Semiempirical Extended Tight-Binding Program Package

635 (+2)
lgpl-3.0
Last week (relative gain)
openmopac
openmopac/mopac

Molecular Orbital PACkage

142 (+0.7%)
apache-2.0
Quantum-Accelerators
Quantum-Accelerators/quacc

quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.

210 (+0.5%)
bsd-3-clause
JuDFTteam
JuDFTteam/best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

458 (+0.4%)
cc-by-sa-4.0
PennyLaneAI
PennyLaneAI/qml

Introductions to key concepts in quantum programming, as well as tutorials and implementations from cutting-edge quantum computing research.

589 (+0.3%)
apache-2.0
grimme-lab
grimme-lab/xtb

Semiempirical Extended Tight-Binding Program Package

635 (+0.3%)
lgpl-3.0
Last month (new repositories)
no newly created repositories trending in the last month
Last month (absolute gain)
deepchem
deepchem/deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

5,877 (+94)
mit
PennyLaneAI
PennyLaneAI/pennylane

PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.

2,551 (+43)
apache-2.0
qosf
qosf/awesome-quantum-software

Curated list of open-source quantum software projects.

1,630 (+42)
cc0-1.0
theochem
theochem/grid

Python library for numerical integration, interpolation, and differentiation on (molecular) grids.

66 (+17)
lgpl-3.0
lmmentel
lmmentel/awesome-python-chemistry

A curated list of Python packages related to chemistry

1,203 (+16)
Last month (relative gain)
theochem
theochem/grid

Python library for numerical integration, interpolation, and differentiation on (molecular) grids.

66 (+35%)
lgpl-3.0
MonitSharma
MonitSharma/Learn-Quantum-Computing-For-Free

This Repository contains link to all the free resources to learn Quantum Computing, Maths, Physics etc.

42 (+11%)
eclipse-qrisp
eclipse-qrisp/Qrisp

Qrisp - The next generation of quantum algorithm development

115 (+6%)
epl-2.0
tblite
tblite/tblite

Light-weight tight-binding framework

114 (+6%)
lgpl-3.0
block-hczhai
block-hczhai/block2-preview

Efficient parallel quantum chemistry DMRG in MPO formalism

77 (+5%)
gpl-3.0
Last 12-months (new repositories)
no newly created repositories trending in the last 12 months
Last 12-months (absolute gain)
deepchem
deepchem/deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

5,877 (+841)
mit
PennyLaneAI
PennyLaneAI/pennylane

PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.

2,551 (+461)
apache-2.0
qosf
qosf/awesome-quantum-software

Curated list of open-source quantum software projects.

1,630 (+305)
cc0-1.0
JuDFTteam
JuDFTteam/best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

458 (+227)
cc-by-sa-4.0
lmmentel
lmmentel/awesome-python-chemistry

A curated list of Python packages related to chemistry

1,203 (+194)
Last 12-months (relative gain)
grimme-lab
grimme-lab/dxtb

Efficient And Fully Differentiable Extended Tight-Binding

85 (+2,025%)
apache-2.0
atomind-ai
atomind-ai/mlip-arena

Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics

56 (+1,020%)
apache-2.0
dralgroup
dralgroup/mlatom

AI-enhanced computational chemistry

78 (+333%)
JuDFTteam
JuDFTteam/best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

458 (+98%)
cc-by-sa-4.0
molmod
molmod/psiflow

scalable molecular simulation

131 (+90%)
mit