PyRank

Protein Ligand Interactions Python Packages

Python packages with the GitHub topic protein-ligand-interactions. Sorted by relevance, with stars and monthly downloads.
abhishektiwari
hbat

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

30K 8 2
dwhswenson
contact-map

Contact maps based on MDTraj

568 48 21
sbl-sdsc
mmtfpyspark

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

317 68 27
BioinfoMachineLearning
multicom-ligand

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

127 8 0
raghavagps
sambinder

A method for predicting SAM interacting residues in a protein

90 1 2
ldomic
lintools

Python script that creates 2D protein-ligand interaction images

34 14 13