Neural Network Models For Chemistry
A collection of Nerual Network Models for chemistry
| 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 | 4 months ago | 756 | December 08, 2023 | 559 | mit | Python |
| Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology | ||||||||||
| Tdc | 889 |  | 4 | 5 months ago | 32 | January 27, 2023 | 34 | mit | Jupyter Notebook | |
| Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science | ||||||||||
| Chemicalx | 657 | 8 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 | 609 | a year ago | 29 | mit | Python | |||||
| Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry | ||||||||||
| Dmol Book | 507 | a year 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 | 4 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) | ||||||||||
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