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24

102

bsd-3-clause

6

3D pharmacophore signatures and fingerprints

pharmacophore chemoinformatics

Created 2018-11-01

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

4

59

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 5 days ago

13

53

other

4

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

537 commits to main branch, last one 12 days ago