pharmacophore
There are 17 repositories under pharmacophore topic.
DrrDom/pmapper
3D pharmacophore signatures and fingerprints
SeonghwanSeo/PharmacoNet
Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
biocheming/watvina
implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking
wolberlab/pyrod
PyRod - Tracing water molecules in molecular dynamics simulations
VicFisher/DiffPhore
Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
tsudalab/ACP4
AutoCorrelation of Pharmacophore Features
uibcdf/PyPharmer
Python API for Pharmer
OliverBScott/align-it
Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)
UnixJunkie/align-it
backup of silicos-it's align-it-1.0.4
AngelRuizMoreno/ConcensusPharmacophore
Consensus pharmacophore for Drug Design
ppjian19/PhoreGen
PhoreGen: Pharmacophore-Oriented 3D Molecular Generation towards Efficient Feature-Customized Drug Discovery
uibcdf/Study_Group_Pharmacophores
Pharmacophores Study Group
tlint101/pharmacophore-toolkit
Generate simple pharmacophore models from RDKit
UnixJunkie/ACP4
AutoCorrelation of Pharmacophore Features
mozerj2001/fp_accel
Hardware accelerator for comparing molecule fingerprints.
CoryKornowicz/ProbeEnergy
Locates, scores, and predicts potential areas of ligand binding using a soft-core repulsion force over a grid.
RaannaKasturi/zincpharmer-tutorial
ZincPharmer Tutorial