| chemprop/chemprop |
1,405 |
|
0 |
0 |
about 2 years ago |
13 |
August 01, 2023 |
61 |
other |
Python |
| Message Passing Neural Networks for Molecule Property Prediction |
| 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 |
| 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 |
| reymond-group/smilesDrawer |
371 |
|
2 |
4 |
over 2 years ago |
27 |
January 21, 2023 |
87 |
mit |
JavaScript |
| A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license. |
| 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 |
| BenevolentAI/guacamol |
265 |
|
0 |
1 |
almost 4 years ago |
7 |
September 19, 2023 |
6 |
mit |
Python |
| Benchmarks for generative chemistry |
| partridgejiang/Kekule.js |
240 |
|
0 |
0 |
over 2 years ago |
0 |
May 29, 2021 |
119 |
mit |
JavaScript |
| A Javascript cheminformatics toolkit. |
