GitHub - jbodosa/yank_CHARMM: An automated, easy protocol to run FEP for CHARMM files · GitHub

Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
__pycache__		__pycache__
commands		commands
reports		reports
schema		schema
tests		tests
FEP_env.yml		FEP_env.yml
__init__.py		__init__.py
analyze.py		analyze.py
cli.py		cli.py
experiment.py		experiment.py
pipeline.py		pipeline.py
restraints.py		restraints.py
utils.py		utils.py
version.py		version.py
yank.py		yank.py

About

An automated, easy protocol to run FEP for CHARMM files

0 stars

0 watching

Report repository

Releases

Packages

Contributors

Languages