5 projects
hbat
Hydrogen Bond Analysis Tool for PDB structures
pdbfixer-wheel
Fork of pdbfixer (https://github.com/openmm/pdbfixer) to be able to pip install it.
molprep
A Python package for streamlined preparation of protein structures and drug-like molecules for virtual screening workflows
scholarimpact
A bibliometric tool to analyse, visualise, and share your research impact, output and scholarly influence using Google Scholar and OpenAlex data
molr
Molecular Realm for Spatial Indexed Structures - Fast spatial operations for molecular data
