vs-utils

Virtual screening and cheminformatics utilities

Requirements

rdkit
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 515 Commits
vs_utils		vs_utils
.gitignore		.gitignore
.pylintrc		.pylintrc
LICENSE		LICENSE
README.md		README.md
pre-commit		pre-commit
requirements.txt		requirements.txt
setup.py		setup.py