| rdkit/rdkit |
2,323 |
|
0 |
21 |
about 2 years ago |
43 |
October 25, 2022 |
938 |
bsd-3-clause |
HTML |
| The official sources for the RDKit library |
| 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 |
| awslabs/dgl-lifesci |
558 |
|
0 |
4 |
almost 3 years ago |
17 |
December 21, 2022 |
25 |
apache-2.0 |
Python |
| Python package for graph neural networks in chemistry and biology |
| datamol-io/datamol |
526 |
|
0 |
14 |
almost 2 years ago |
82 |
December 09, 2023 |
6 |
apache-2.0 |
Python |
| Molecular Processing Made Easy. |
| CalebBell/thermo |
517 |
|
3 |
12 |
over 2 years ago |
59 |
September 17, 2023 |
8 |
mit |
Python |
| Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL) |
| hsiaoyi0504/awesome-cheminformatics |
473 |
|
0 |
0 |
over 3 years ago |
0 |
|
14 |
|
|
| A curated list of Cheminformatics libraries and software. |
| cdk/cdk |
453 |
|
19 |
69 |
about 2 years ago |
17 |
August 21, 2023 |
31 |
lgpl-2.1 |
Java |
| The Chemistry Development Kit |
| dewberryants/asciiMol |
341 |
|
0 |
0 |
almost 3 years ago |
13 |
May 30, 2022 |
0 |
bsd-2-clause |
Python |
| Curses based ASCII molecule viewer for terminals. |
| chembl/chembl_webresource_client |
303 |
|
0 |
0 |
about 3 years ago |
1 |
May 28, 2022 |
23 |
other |
Python |
| Official Python client for accessing ChEMBL API |
| lambdacasserole/avogadrio |
248 |
|
0 |
0 |
over 4 years ago |
0 |
|
16 |
mit |
JavaScript |
| Worship your favorite molecule by setting it as your wallpaper. |
