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The Top 13 Deep Learning Quantum Chemistry Open Source Projects

Open source projects categorized as Deep Learning Quantum Chemistry
Categories > Machine Learning > Deep Learning
Categories > Science > Quantum Chemistry
Deepchem ⭐ 4,876
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
dependent packages 8total releases 756most recent commit 3 months agopypi deepchem} Downloads
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 54total releases 46most recent commit 3 months agopypi PennyLane} Downloads
Schnetpack ⭐ 688
SchNetPack - Deep Neural Networks for Atomistic Systems
dependent packages 3total releases 10most recent commit 3 months agopypi schnetpack} Downloads
Torchani ⭐ 411
Accurate Neural Network Potential on PyTorch
dependent packages 4total releases 21most recent commit 5 months agopypi torchani} Downloads
Deepqmc ⭐ 308
Deep learning quantum Monte Carlo for electrons in real space
total releases 11most recent commit 5 months ago
Delfta ⭐ 82
Δ-QML for medicinal chemistry
most recent commit a year ago
Schnet ⭐ 69
SchNet - a deep learning architecture for quantum chemistry
most recent commit 6 years ago
Alchemy ⭐ 69
most recent commit 5 years ago
Awesome Structural Bioinformatics ⭐ 54
Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this.
most recent commit a year ago
Dtnn ⭐ 52
Deep Tensor Neural Network
most recent commit 7 years ago
Graddft ⭐ 45
Grad-DFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.
most recent commit 4 months ago
Aimnet ⭐ 31
Atoms In Molecules Neural Network Potential
most recent commit 4 years ago
Deepmolenet ⭐ 6
Deep learning for molecules quantum chemistry properties prediction
most recent commit 3 years ago
The 4 Most Depended On Deep Learning Quantum Chemistry Open Source Projects
Deepchem ⭐ 4,876
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
dependent packages 8total releases 756latest release December 08, 2023most recent commit 3 months agopypi deepchem} Downloads
Torchani ⭐ 411
Accurate Neural Network Potential on PyTorch
dependent packages 4total releases 21latest release November 14, 2023most recent commit 5 months agopypi torchani} Downloads
Schnetpack ⭐ 688
SchNetPack - Deep Neural Networks for Atomistic Systems
dependent packages 3total releases 10latest release September 29, 2023most recent commit 3 months agopypi schnetpack} Downloads
The 5 Latest Releases In Deep Learning Quantum Chemistry Open Source Projects
Deepchem ⭐ 4,876
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
dependent packages 8total releases 756latest release December 08, 2023most recent commit 3 months agopypi deepchem} Downloads
Deepqmc ⭐ 308
Deep learning quantum Monte Carlo for electrons in real space
total releases 11latest release November 20, 2023most recent commit 5 months ago
Torchani ⭐ 411
Accurate Neural Network Potential on PyTorch
dependent packages 4total releases 21latest release November 14, 2023most recent commit 5 months agopypi torchani} Downloads
Schnetpack ⭐ 688
SchNetPack - Deep Neural Networks for Atomistic Systems
dependent packages 3total releases 10latest release September 29, 2023most recent commit 3 months agopypi schnetpack} Downloads
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