| 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 |
| 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 |
| OpenChemistry/avogadrolibs |
379 |
|
1 |
0 |
about 2 years ago |
11 |
November 02, 2023 |
100 |
bsd-3-clause |
C++ |
| Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. |
| cryos/avogadro |
283 |
|
0 |
0 |
over 4 years ago |
0 |
|
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/lightdock |
234 |
|
0 |
0 |
about 2 years ago |
0 |
|
0 |
gpl-3.0 |
Python |
| Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm |
| OpenChemistry/avogadroapp |
153 |
|
0 |
0 |
about 2 years ago |
0 |
|
7 |
bsd-3-clause |
C++ |
| Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. |
| Electrostatics/pdb2pqr |
99 |
|
1 |
3 |
about 2 years ago |
17 |
January 24, 2022 |
40 |
other |
Python |
| PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules. |
| twoXes/awesome-structural-bioinformatics |
78 |
|
0 |
0 |
almost 3 years ago |
0 |
|
0 |
|
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. |
| singleron-RD/CeleScope |
73 |
|
0 |
0 |
about 2 years ago |
59 |
November 16, 2023 |
7 |
mit |
Python |
| Single Cell Analysis Pipelines |
