openfractal-client

A Python client based on QCPortal for Open Drug Discovery (ODD) QM large scale data generation.

Documentation

micromamba create -n openfractal -f env.yml
micromamba activate openfractal

# Install openfractal-client lib
pip install -e .

You can run tests locally with:

pytest

See the latest changelogs at CHANGELOGS.md.

Under the Apache-2.0 license. See LICENSE.

Name		Name	Last commit message	Last commit date
Latest commit History 46 Commits
.github		.github
configs		configs
docs		docs
openfractal_client		openfractal_client
scripts		scripts
tests		tests
.gitignore		.gitignore
CHANGELOGS.md		CHANGELOGS.md
Dockerfile		Dockerfile
LICENSE		LICENSE
README.md		README.md
construct.yaml		construct.yaml
docker-compose.yml		docker-compose.yml
env.yml		env.yml
mkdocs.yml		mkdocs.yml
pyproject.toml		pyproject.toml