vs-utils

Virtual screening and cheminformatics utilities

Requirements

rdkit
rdkit-utils
pubchem-utils
Some featurizations utilize the Antechamber and PBSA programs in AmberTools, which are licensed under the GNU GPL (version 3).

Name		Name	Last commit message	Last commit date
Latest commit History 322 Commits
vs_utils		vs_utils
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
requirements.txt		requirements.txt
setup.py		setup.py