| lmmentel/awesome-python-chemistry |
971 |
|
0 |
0 |
over 2 years ago |
0 |
|
2 |
other |
|
| A curated list of Python packages related to chemistry |
| openbabel/openbabel |
927 |
|
0 |
6 |
about 2 years ago |
2 |
November 02, 2021 |
614 |
gpl-2.0 |
C++ |
| Open Babel is a chemical toolbox designed to speak the many languages of chemical data. |
| 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 |
| 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. |
| mcs07/PubChemPy |
315 |
|
22 |
37 |
over 2 years ago |
5 |
April 11, 2017 |
40 |
mit |
Python |
| Python wrapper for the PubChem PUG REST API. |
| 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 |
| epam/Indigo |
263 |
|
0 |
5 |
about 2 years ago |
57 |
December 11, 2023 |
416 |
apache-2.0 |
C++ |
| Universal cheminformatics toolkit, utilities and database search tools |
