pharmacophore

There are 11 repositories under pharmacophore topic.

DrrDom/pmapper
3D pharmacophore signatures and fingerprints
Language:Python100 6 924
biocheming/watvina
implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking
Language:Jupyter Notebook49 2 212
wolberlab/pyrod
PyRod - Tracing water molecules in molecular dynamics simulations
Language:Python46 2 127
SeonghwanSeo/PharmacoNet
Official Github for "PharmacoNet: Accelerating Large-Scale Virtual Screening by Deep Pharmacophore Modeling" (NeurIPS 2023 Workshop)
Language:Python41 3 54
tsudalab/ACP4
AutoCorrelation of Pharmacophore Features
Language:OCaml15 1 02
uibcdf/PyPharmer
Python API for Pharmer
Language:HTML11 2 66
UnixJunkie/align-it
backup of silicos-it's align-it-1.0.4
Language:C++9 1 02
OliverBScott/align-it
Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)
Language:Jupyter Notebook8 2 00
AngelRuizMoreno/ConcensusPharmacophore
Consensus pharmacophore for Drug Design
Language:Jupyter Notebook6 1 03
uibcdf/Study_Group_Pharmacophores
Pharmacophores Study Group
3 3 510
CoryKornowicz/ProbeEnergy
Locates, scores, and predicts potential areas of ligand binding using a soft-core repulsion force over a grid.
2 0