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moleculekit

MoleculeKit: Your favorite molecule manipulation kit

pypdb

A Python API for the RCSB Protein Data Bank (PDB)

greedyfas

FAS - Tool for Feature Architecture Similarity calculation

fpbase

Python wrapper for FPBase.org GraphQL API.

haddock3

Official repo of the modular BioExcel version of HADDOCK

progen-transformer

Implementation and replication of ProGen, Language Modeling for Protein Generation, in Jax

cpiextract

CPIExtract is a software package to collect and harmonize small molecule and protein interactions with support for stereoisomer matching.

molecularnodes

Toolbox for molecular animations in Blender, powered by Geometry Nodes.

omnipath-utils

Prior-knowledge processing utilities Python package, database and web API

seqme

Metrics for evaluating biological sequence design

bio2bel-kegg

A Bio2BEL package for integrating pathway-related information from KEGG in BEL

afpropred

A tool to predict anti-freezing proteins

dips-plus

The Enhanced Database of Interacting Protein Structures for Interface Prediction

kif

KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.

deepinteract

A geometric deep learning pipeline for predicting protein interface contacts.

protviewer

A web-based tool to visualize activities in proteins

protify

Low code molecular property prediction

biotrainer

Biological prediction models made simple.

correlationplus

A Python package to calculate, visualize and analyze correlation maps of proteins.

geometricus

Fast, structure-based, alignment-free protein embedding

bigecyhmm

Predict enzymatic impact on biogeochemical cycles from proteomes.

folding

AlphaFold2 protein predictions

bio2bel-interpro

A Bio2BEL package for converting InterPro to BEL

idpflex

Analysis of intrinsically disordered proteins by comparing MD simulations to Small Angle Scattering experiments