GitHub - roitberg-group/torchani_sandbox: *PRIVATE* Sandbox repository with implementations of new features

⚠️ Important: DO NOT USE THIS REPOSITORY, use https://github.com/aiqm/torchani/ instead

Name		Name	Last commit message	Last commit date
Latest commit History 1,035 Commits
.github		.github
dev-data/pdb_files		dev-data/pdb_files
docs		docs
examples		examples
recipe		recipe
tests		tests
tools		tools
torchani		torchani
.clang-format		.clang-format
.dockerignore		.dockerignore
.flake8		.flake8
.gitignore		.gitignore
.pre-commit-config.yaml		.pre-commit-config.yaml
Dockerfile		Dockerfile
LICENSE		LICENSE
README.md		README.md
conda.Dockerfile		conda.Dockerfile
dev_requirements.txt		dev_requirements.txt
download-dev-data.sh		download-dev-data.sh
environment.yaml		environment.yaml
front-logo-dark.png		front-logo-dark.png
front-logo-light.png		front-logo-light.png
pyproject.toml		pyproject.toml
setup.py		setup.py

Provide feedback