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GitHub / BioSystemsUM / BioCatalyzer
BioCatalyzer: a rule-based tool to predict compound metabolism
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/BioSystemsUM%2FBioCatalyzer
Stars: 4
Forks: 0
Open Issues: 0
License: mit
Language: Python
Repo Size: 58.4 MB
Dependencies:
10
Created: over 1 year ago
Updated: 2 months ago
Last pushed: over 1 year ago
Last synced: 3 days ago
Topics: cheminformatics, chemoinformatics, enzymatic-reactions, metabolism, reaction-rules
Files
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Readme
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Dependencies
requirements.txt
pypi
- click ==8.1.3
- pandas ==1.5.0
- rdkit-pypi ==2022.3.5
requirements_dev.txt
pypi
- flake8 ==4.0.1 development
- mypy ==0.942 development
- pytest ==7.1.1 development
- pytest-cov ==3.0.0 development
- tox ==3.25.0 development
.github/workflows/main.yml
actions
- actions/checkout v3 composite
- actions/setup-python v2 composite