Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Chemprop | 1,405 | 3 months ago | 13 | August 01, 2023 | 61 | other | Python | |||
Message Passing Neural Networks for Molecule Property Prediction | ||||||||||
Tdc | 889 | 4 | 4 months ago | 32 | January 27, 2023 | 34 | mit | Jupyter Notebook | ||
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science | ||||||||||
Thermo | 517 | 3 | 12 | 6 months ago | 59 | September 17, 2023 | 8 | mit | Python | |
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL) | ||||||||||
Awesome Cheminformatics | 473 | a year ago | 14 | |||||||
A curated list of Cheminformatics libraries and software. | ||||||||||
Cdk | 453 | 19 | 69 | 3 months ago | 17 | August 21, 2023 | 31 | lgpl-2.1 | Java | |
The Chemistry Development Kit | ||||||||||
Smilesdrawer | 371 | 2 | 4 | 4 months 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. | ||||||||||
Asciimol | 341 | a year ago | 13 | May 30, 2022 | bsd-2-clause | Python | ||||
Curses based ASCII molecule viewer for terminals. | ||||||||||
Chembl_webresource_client | 303 | a year ago | 1 | May 28, 2022 | 23 | other | Python | |||
Official Python client for accessing ChEMBL API | ||||||||||
Guacamol | 265 | 1 | 2 years ago | 7 | September 19, 2023 | 6 | mit | Python | ||
Benchmarks for generative chemistry | ||||||||||
Kekule.js | 240 | 4 months ago | May 29, 2021 | 119 | mit | JavaScript | ||||
A Javascript cheminformatics toolkit. |