GitHub - digital-chemistry-laboratory/polanyi: Transition state optimization with force fields in Python.

Name		Name	Last commit message	Last commit date
Latest commit History 13 Commits
polanyi		polanyi
tests		tests
.coveragerc		.coveragerc
.flake8		.flake8
.gitignore		.gitignore
.isort.cfg		.isort.cfg
.rstcheck.cfg		.rstcheck.cfg
environment-dev.yml		environment-dev.yml
environment.yml		environment.yml
mypy.ini		mypy.ini
noxfile.py		noxfile.py
pyproject.toml		pyproject.toml
requirements-dev.txt		requirements-dev.txt
requirements.txt		requirements.txt
setup.py		setup.py