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7

90

mit

7

📐 Symmetry-corrected RMSD in Python

cadd rmsd docking symmetry drug-discovery molecular-docking computational-biology computational-chemistry computer-aided-drug-design

Created 2019-10-10

604 commits to develop branch, last one about a month ago

15

45

mit

12

Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.

casp datasets synthesis retrosynthesis synthesis-routes organic-chemistry computer-aided-drug-design

Created 2019-09-24

14 commits to master branch, last one 3 years ago

14

42

mit

1

A curated list of awesome AI and Bioinformatics.

awesome ai4science bioinformatics drug-discovery computer-science artificial-intelligence computer-aided-drug-design

Created 2022-08-28

92 commits to master branch, last one about a year ago