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GitHub / dmyersturnbull / mandos
Fetch pharmacological knowledge on chemical compounds and squeeze it into semantic triples. For analysis of chemical screens and training and evaluation of algorithms.
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/dmyersturnbull%2Fmandos
Stars: 5
Forks: 3
Open Issues: 16
License: apache-2.0
Language: Python
Repo Size: 6.29 MB
Dependencies:
219
Created: about 4 years ago
Updated: over 1 year ago
Last pushed: about 1 year ago
Last synced: 10 days ago
Topics: activity, binding, chembl, cheminformatics, drug-target-interactions, filter
Files
Dependencies
- Sphinx ^4.2 develop
- bandit ^1.7 develop
- coverage ^6 develop
- flake8 ^4 develop
- flake8-bugbear >=21.9.2 develop
- flake8-docstrings ^1.6 develop
- nbqa ^1.1 develop
- pre-commit ^2.15 develop
- pre-commit-hooks ^4 develop
- pytest ^6 develop
- pytest-cov ^3 develop
- sphinx-autoapi ^1.5 develop
- sphinx-copybutton >=0.4, <1.0 develop
- sphinx-rtd-theme ^1 develop
- sphinxcontrib-mermaid >=0.7, <1.0 develop
- aioquic >=0.9, <1.0
- chembl-webresource-client ^0.10
- click >=8
- decorateme ^0.2.3
- defusedxml >=0.7, <1.0
- fastapi >=0.7, <1.0
- hypercorn >=0.11, <1.0
- itsdangerous ^2
- joblib ^1.1
- loguru >=0.5, <1.0
- matplotlib ^3.4
- numpy ^1.21
- orjson ^3.6
- pandas ^1.3
- pint >=0.18, <1.0
- pocketutils ^0.8.5
- pydantic ^1.8
- python ^3.10
- regex >=2021.11
- requests ^2.26
- scikit-learn ^1
- seaborn >=0.11, <1.0
- selenium ^4
- suretime >=0.1.1, <1.0
- tomlkit >=0.7, <1.0
- typeddfs >=0.16.4, <1.0
- typer >=0.4, <1.0
- tzdata >=2021.5
- umap-learn >=0.5, <1.0
- actions/checkout v2 composite
- actions/setup-python v2 composite
- skx/github-action-publish-binaries master composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- python 3.9 build
- sphinx >=4.0,<5.0
- sphinx-autoapi >=1.8,<2.0
- sphinx-copybutton >=0.3,<1.0
- sphinx-rtd-theme >=0.5,<1.0
- sphinxcontrib-mermaid >=0.5,<1.0
- tomlkit >=0.7,<1.0
- actions/checkout master composite
- actions/checkout v2 composite
- gaurav-nelson/github-action-markdown-link-check v1 composite
- github/codeql-action/analyze v1 composite
- github/codeql-action/autobuild v1 composite
- github/codeql-action/init v1 composite