PyRank

Protein Ligand Interactions Python Packages

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

HBAT 2: A Python Package to analyse Hydrogen Bonds and Other Non-covalent Interactions in Macromolecular Structures https://hbat-web.abhishek-tiwari.com

19K 11 2
pritampanda15
pandamap

Ligand-Protein Interaction Mapping

665 94 16
osvalB
mcp-pykingenie

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

357 0 1
dwhswenson
contact-map

Contact map analysis for biomolecules; based on MDTraj

287 50 22
sbl-sdsc
mmtfpyspark

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

208 68 25
BioinfoMachineLearning
multicom-ligand

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

64 8 1
ldomic
lintools

Python script that creates 2D protein-ligand interaction images

48 13 13
raghavagps
sambinder

A method for predicting SAM interacting residues in a protein

47 1 2