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

Project description

openfractal-client

test release docker code-check doc

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

Documentation

Visit https://opendrugdiscovery.github.io/openfractal-client/.

Development lifecycle

Setup dev environment

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

# Install openfractal-client lib
pip install -e .

Tests

You can run tests locally with:

pytest

Changelogs

See the latest changelogs at CHANGELOGS.md.

License

Under the Apache-2.0 license. See LICENSE.

Project details


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openfractal_client-0.1.2.tar.gz (37.5 kB view hashes)

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