| deepchem/deepchem |
4,876 |
|
4 |
8 |
about 2 years ago |
756 |
December 08, 2023 |
559 |
mit |
Python |
| Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology |
| mims-harvard/TDC |
889 |
|
0 |
4 |
over 2 years ago |
32 |
January 27, 2023 |
34 |
mit |
Jupyter Notebook |
| Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science |
| AstraZeneca/chemicalx |
657 |
|
0 |
0 |
over 2 years 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/chainer-chemistry |
595 |
|
0 |
0 |
almost 3 years ago |
0 |
|
29 |
mit |
Python |
| Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry |
| whitead/dmol-book |
507 |
|
0 |
0 |
almost 3 years ago |
0 |
|
25 |
other |
Jupyter Notebook |
| Deep learning for molecules and materials book |
| Mariewelt/OpenChem |
450 |
|
0 |
0 |
almost 4 years ago |
0 |
|
13 |
mit |
Python |
| OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research |
| DSPsleeporg/smiles-transformer |
154 |
|
0 |
0 |
about 4 years ago |
0 |
|
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. |
| MolecularAI/REINVENT4 |
150 |
|
0 |
0 |
about 2 years ago |
0 |
|
0 |
apache-2.0 |
Python |
| AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization. |
| mufeili/DL4MolecularGraph |
146 |
|
0 |
0 |
over 5 years ago |
0 |
|
0 |
|
|
| Literature of deep learning for graphs in Chemistry and Biology |
| isayev/ASE_ANI |
126 |
|
0 |
0 |
almost 6 years ago |
0 |
|
11 |
mit |
Python |
| ANI-1 neural net potential with python interface (ASE) |
