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GitHub / ur-whitelab / exmol
Explainer for black box models that predict molecule properties
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ur-whitelab%2Fexmol
Stars: 274
Forks: 42
Open Issues: 13
License: mit
Language: Jupyter Notebook
Repo Size: 267 MB
Dependencies:
62
Created: almost 3 years ago
Updated: 27 days ago
Last pushed: 6 months ago
Last synced: 22 days ago
Commit Stats
Commits: 178
Authors: 8
Mean commits per author: 22.25
Development Distribution Score: 0.27
More commit stats: https://commits.ecosyste.ms/hosts/GitHub/repositories/ur-whitelab/exmol
Files
Dependencies
- jupyter *
- mordred ==1.2.0
- myst-nb *
- myst-parser *
- pandas *
- seaborn *
- sklearn *
- sphinx *
- sphinx-rtd-theme *
- sphinx_autodoc_typehints *
- tensorflow >=2.4
- click *
- mypy *
- pre-commit *
- pytest *
- pytest-cov *
- importlib-resources ==5.6.0
- numpy *
- ratelimit *
- rdkit *
- requests *
- scikit-learn *
- selfies *
- skunk *
- tqdm *
- actions/checkout v2 composite
- actions/setup-python v2 composite
- pypa/gh-action-pypi-publish master composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- peaceiris/actions-gh-pages v3 composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- CairoSVG *
- Pillow *
- chex ==0.0.7
- dm-haiku ==0.0.5
- jax ==0.2.13
- jaxlib ==0.1.67
- jupyter *
- matplotlib *
- optax ==0.0.9
- pandas *
- pyrfume *
- scikit-learn ==1.1.2
- seaborn *
- skunk *
- tensorflow ==2.5.0