GitHub - ale94mleon/moldrug: moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space

ale94mleon / moldrug Public

moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space

moldrug.rtfd.io/

Notifications

Name		Name	Last commit message	Last commit date
Latest commit History 625 Commits
.binder		.binder
.conda-noarch		.conda-noarch
.conda_create_env		.conda_create_env
.devcontainer		.devcontainer
.github/workflows		.github/workflows
Contrib		Contrib
conda		conda
docs		docs
src/moldrug		src/moldrug
streamlit		streamlit
tests		tests
.gitignore		.gitignore
.readthedocs.yml		.readthedocs.yml
CITATION.cff		CITATION.cff
CODE-OF-CONDUCT.md		CODE-OF-CONDUCT.md
CONTRIBUTORS.md		CONTRIBUTORS.md
Dockerfile		Dockerfile
LICENSE		LICENSE
README.rst		README.rst
packages.txt		packages.txt
pyproject.toml		pyproject.toml
requirements_docs.txt		requirements_docs.txt
setup.py		setup.py

Provide feedback