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

32K 10 2
dwhswenson
contact-map

Contact maps based on MDTraj

685 49 21
osvalB
mcp-pykingenie

MCP_PYKINGENIE is a MCP server that provides tools for the analysis of surface-based binding kinetics data.

336 0 0
sbl-sdsc
mmtfpyspark

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

329 68 27
raghavagps
sambinder

A method for predicting SAM interacting residues in a protein

148 1 2
BioinfoMachineLearning
multicom-ligand

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

121 8 0
ldomic
lintools

Illustrates protein-ligand interactions

73 13 13