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GitHub / AstraZeneca / jazzy
Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/AstraZeneca%2Fjazzy
Stars: 71
Forks: 6
Open Issues: 14
License: other
Language: Python
Repo Size: 2.97 MB
Dependencies:
149
Created: over 2 years ago
Updated: 7 days ago
Last pushed: 8 days ago
Last synced: 7 days ago
Commit Stats
Commits: 132
Authors: 5
Mean commits per author: 26.4
Development Distribution Score: 0.326
More commit stats: https://commits.ecosyste.ms/hosts/GitHub/repositories/AstraZeneca/jazzy
Files
Dependencies
- sphinx ==5.0.1
- sphinx-click ==4.1.0
- sphinx-rtd-theme ==1.0.0
- black ^21.12b0 develop
- coverage ^6.4 develop
- darglint ^1.8.1 develop
- flake8 ^4.0.1 develop
- flake8-bandit ^3.0.0 develop
- flake8-bugbear ^22.4.25 develop
- flake8-docstrings ^1.6.0 develop
- flake8-rst-docstrings ^0.2.5 develop
- mypy ^0.961 develop
- numpy ^1.22.1 develop
- pep8-naming ^0.13.0 develop
- pre-commit ^2.19.0 develop
- pre-commit-hooks ^4.2.0 develop
- pytest ^7.1.1 develop
- reorder-python-imports ^3.1.0 develop
- safety ^1.10.3 develop
- sphinx ^4.3.2 develop
- sphinx-autobuild ^2021.3.14 develop
- sphinx-click ^4.1.0 develop
- sphinx-rtd-theme ^1.0.0 develop
- typeguard ^2.13.3 develop
- xdoctest ^1.0.0 develop
- click <8.0.0
- kallisto ^1.0.7
- optuna 2.3.0
- python ^3.8.0
- rdkit-pypi <=2021.9.4
- actions/checkout v3 composite
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- actions/checkout v3 composite
- actions/setup-python v4 composite
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- release-drafter/release-drafter v5.20.0 composite
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- actions/setup-python v4 composite
- actions/upload-artifact v3 composite
- codecov/codecov-action v3.1.0 composite