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25

103

bsd-3-clause

6

3D pharmacophore signatures and fingerprints

pharmacophore chemoinformatics

Created 2018-11-01

129 commits to master branch, last one 26 days ago

4

63

mit

3

Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)

deep-learning pharmacophore drug-discovery machine-learning virtual-screening instance-segmentation pharmacophore-modelling

Created 2023-10-02

61 commits to main branch, last one about a month ago

13

53

other

3

implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking

watvina drug-design autodock-vina pharmacophore water-docking molecular-docking

Created 2021-10-29

538 commits to main branch, last one 15 days ago