| 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 |
| lightdock/lightdock |
234 |
|
0 |
0 |
about 2 years ago |
0 |
|
0 |
gpl-3.0 |
Python |
| Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm |
| kjappelbaum/gptchem |
162 |
|
0 |
0 |
over 2 years ago |
4 |
October 04, 2023 |
13 |
mit |
Jupyter Notebook |
| 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. |
| kjappelbaum/awesome-chemistry-datasets |
150 |
|
0 |
0 |
over 2 years ago |
0 |
|
17 |
cc0-1.0 |
|
| overview of datasets for ML in chemistry |
| benstaf/ChemGAN-challenge |
112 |
|
0 |
0 |
about 3 years ago |
0 |
|
1 |
|
Python |
| Code for the paper: ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? arXiv preprint arXiv:1708.08227. |
| SeongokRyu/CH485---Artificial-Intelligence-and-Chemistry |
55 |
|
0 |
0 |
about 7 years ago |
0 |
|
0 |
|
Jupyter Notebook |
| CH485 - Artificial Intelligence and Chemistry |
| djbarrow/fundamental |
16 |
|
0 |
0 |
over 2 years ago |
0 |
|
2 |
gpl-2.0 |
C |
| Software to look for interrelationships between constants and find formulas for number sequences |
| Gressling/examples |
9 |
|
0 |
0 |
over 4 years ago |
0 |
|
0 |
mit |
Jupyter Notebook |
| Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020 |
| hongyehu/Science-AI-Reading-Group |
8 |
|
0 |
0 |
over 5 years ago |
0 |
|
0 |
|
|
