Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Deepchem | 4,876 | 4 | 8 | 2 months ago | 756 | December 08, 2023 | 559 | mit | Python | |
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology | ||||||||||
Tdc | 889 | 4 | 3 months ago | 32 | January 27, 2023 | 34 | mit | Jupyter Notebook | ||
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science | ||||||||||
Chemicalx | 657 | 7 months ago | 10 | February 09, 2022 | 7 | apache-2.0 | Python | |||
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022) | ||||||||||
Chainer Chemistry | 604 | a year ago | 29 | mit | Python | |||||
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry | ||||||||||
Dmol Book | 507 | 9 months ago | 25 | other | Jupyter Notebook | |||||
Deep learning for molecules and materials book | ||||||||||
Openchem | 450 | 2 years ago | 13 | mit | Python | |||||
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research | ||||||||||
Smiles Transformer | 154 | 2 years ago | 8 | mit | Jupyter Notebook | |||||
Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al. | ||||||||||
Reinvent4 | 150 | 2 months ago | apache-2.0 | Python | ||||||
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization. | ||||||||||
Dl4moleculargraph | 146 | 3 years ago | ||||||||
Literature of deep learning for graphs in Chemistry and Biology | ||||||||||
Ase_ani | 126 | 4 years ago | 11 | mit | Python | |||||
ANI-1 neural net potential with python interface (ASE) |