OpenDMPK: an open source data resource and toolkit for predicting drug metabolism and pharmacokinetic properties of drug molecules.
(code)

DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinities.
(code | paper)

Autodock VinaSH: new version of Autodock Vina optimized to evaluate sigma hole interactions
(code | paper)

Interaction Finger Print for Autodock Vina
(code | paper)

XBFINDER: XBFINDER is tool to find halogen bonds and other halogen interactions in a pdb file.
(code | paper)

Autodock VinaXB: docking software with halogen bonding scoring function incorporated.
(code | paper)

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BioNetFit: a fitting tool compatible with BioNetGen, NFsim, and distributed computing environments
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(code | paper)

MULTIDOCK: A reverse dock tool to find target protein molecule for a given small molecule.
(code | paper)