5 projects
pyKVFinder
Python package to detect and characterize cavities in biomolecular structures
SERD
A Python package to detect solvent-exposed residues of a target biomolecule.
AtomPacker
A python package for packing nanoclusters into supramolecular cages
MHCXGraph
A python package for graph-based detection of structurally similar surface regions in protein complexes, with a focus on peptide-MHC (pMHC) systems involved in T cell receptor (TCR) recognition.
mol2grid
Python package to insert a ligand in a 3D grid, created based on its respective receptor, considering each atom type as an integer
