Search Packages

hbat

HBAT 2: A Python Package to analyse Hydrogen Bonds and Other Non-covalent Interactions in Macromolecular Structures

contact-map

Contact map analysis for biomolecules; based on MDTraj

mmtfpyspark

Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.

sambinder

A tool for predicting S-adenosyl-L-methionine binding sites

multicom-ligand

Comprehensive ensembling of protein-ligand structure and affinity prediction methods (CASP16)

lintools

Python script that creates 2D protein-ligand interaction images