SEAMM TorchANI Plug-in

A SEAMM plug-in for TorchANI

Features

This package was created with the molssi-seamm/cookiecutter-seamm-plugin tool, which is based on the excellent Cookiecutter.

Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award CHE-2136142.

Name		Name	Last commit message	Last commit date
Latest commit History 23 Commits
.github		.github
devtools		devtools
docs		docs
tests		tests
torchani_step		torchani_step
.codecov.yml		.codecov.yml
.editorconfig		.editorconfig
.gitignore		.gitignore
.lgtm.yml		.lgtm.yml
AUTHORS.rst		AUTHORS.rst
CONTRIBUTING.rst		CONTRIBUTING.rst
HISTORY.rst		HISTORY.rst
LICENSE		LICENSE
MANIFEST.in		MANIFEST.in
Makefile		Makefile
README.rst		README.rst
requirements.txt		requirements.txt
requirements_dev.txt		requirements_dev.txt
requirements_install.txt		requirements_install.txt
setup.cfg		setup.cfg
setup.py		setup.py
versioneer.py		versioneer.py