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The Top 10 Quantum Chemistry Open Source Projects
Open source projects categorized as Quantum Chemistry
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Quantum Chemistry
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deepchem/deepchem
⭐
4,876
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
dependent packages
0
total releases
0
most recent commit
over 2 years ago
PennyLaneAI/pennylane
⭐
2,022
PennyLane is a cross-platform Python library for differentiable programming of quantum computers. Train a quantum computer the same way as a neural network.
dependent packages
0
total releases
0
most recent commit
over 2 years ago
quantumlib/OpenFermion
⭐
1,442
The electronic structure package for quantum computers.
dependent packages
0
total releases
0
most recent commit
over 2 years ago
qosf/awesome-quantum-software
⭐
1,273
Curated list of open-source quantum software projects.
dependent packages
0
total releases
0
most recent commit
over 2 years ago
pyscf/pyscf
⭐
1,061
Python module for quantum chemistry
dependent packages
0
total releases
0
most recent commit
over 2 years ago
lmmentel/awesome-python-chemistry
⭐
971
A curated list of Python packages related to chemistry
dependent packages
0
total releases
0
most recent commit
over 2 years ago
psi4/psi4
⭐
875
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
dependent packages
0
total releases
0
most recent commit
over 2 years ago
cp2k/cp2k
⭐
722
Quantum chemistry and solid state physics software package
dependent packages
0
total releases
0
most recent commit
over 2 years ago
atomistic-machine-learning/schnetpack
⭐
688
SchNetPack - Deep Neural Networks for Atomistic Systems
dependent packages
0
total releases
0
most recent commit
over 2 years ago
grimme-lab/xtb
⭐
501
Semiempirical Extended Tight-Binding Program Package
dependent packages
0
total releases
0
most recent commit
over 2 years ago
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