cheminformatics-software

There are 0 repository under cheminformatics-software topic.

denalitherapeutics / basechem
A computational chemistry tool for guiding design ideation
cheminformatics-software rdkit
Language:Python 7
radifar / pilah
Protein Ligand Abstraction and Hydrogenization tool. A cheminformatic tool that separate protein and ligand from the PDB file, fix the bond order of the ligand, protonate protein and ligand separately, then write them to separate file.
pdb-file-processing protein-ligand-docking ligand-preparation ligand-protonation protein-preparation protein-protonation cheminformatics-software command-line-tool
Language:Python 1

denalitherapeutics / basechem