Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Tdc | 889 | 4 | 4 months ago | 32 | January 27, 2023 | 34 | mit | Jupyter Notebook | ||
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science | ||||||||||
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 | ||||||||||
Avogadro | 283 | 3 years ago | 238 | gpl-2.0 | C++ | |||||
Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. | ||||||||||
Lightdock | 234 | 3 months ago | gpl-3.0 | Python | ||||||
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm | ||||||||||
Pdb2pqr | 99 | 1 | 3 | 3 months ago | 17 | January 24, 2022 | 40 | other | Python | |
PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules. | ||||||||||
Celescope | 73 | 3 months ago | 59 | November 16, 2023 | 7 | mit | Python | |||
Single Cell Analysis Pipelines | ||||||||||
Awesome Scientific Go | 62 | 4 years ago | cc0-1.0 | |||||||
Go libraries for scientific computing | ||||||||||
Awesome Structural Bioinformatics | 54 | a year ago | Python | |||||||
Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this. | ||||||||||
Qmflows | 44 | 4 | 5 | 7 months ago | 9 | October 06, 2023 | 1 | other | Python | |
This library tackles the construction and efficient execution of computational chemistry workflows |