structural-bioinformatics topic

:book::microscope::coffee: BioJava is an open-source project dedicated to providing a Java library for processing biological data.

biojava

A dependency-free cross-platform swiss army knife for PDB files.

haddocking

Molecular simulation in Julia

JuliaMolSim

Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm

lightdock

P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

rdk

A Julia package to read, write and manipulate macromolecular structures (particularly proteins)

BioJulia

Mutual Information Tools for protein Sequence analysis in Julia

diegozea

Calculation of interatomic interactions in molecular structures

harryjubb

Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.

n-szulc

A Julia package to view macromolecular structures in the REPL, in a Jupyter notebook/JupyterLab or in Pluto

jgreener64