ABEEM Solver
Calculates partial atomic charges for small organic molecules, drug-like molecules.
pyChemInf
Lite chemoinformatics framework in Python.
AtomicChargeCalculator
A web application for the calculation and analysis of atomic charges in both large biomolecular complexes and small drug-like molecules.
IDSM
Integrated Database of Small Molecules
P2Rank
Novel machine learning-based method for prediction of ligand binding sites from protein structure.
