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GitHub / AstraZeneca / chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/AstraZeneca%2Fchemicalx
Stars: 700
Forks: 88
Open Issues: 7
License: apache-2.0
Language: Python
Repo Size: 20.4 MB
Dependencies:
30
Created: over 2 years ago
Updated: about 2 months ago
Last pushed: 9 months ago
Last synced: about 1 month ago
Commit Stats
Commits: 308
Authors: 14
Mean commits per author: 22.0
Development Distribution Score: 0.185
More commit stats: https://commits.ecosyste.ms/hosts/GitHub/repositories/AstraZeneca/chemicalx
Topics: biology, chemistry, deep-chemistry, deep-learning, drug, drug-discovery, drug-interaction, drug-pair, geometric-deep-learning, geometry, graph-neural-network, machine-learning, pharma, polypharmacy, pytorch, smiles, smiles-strings, torch, torchdrug
Files
Dependencies
- jupyter-sphinx *
- nbsphinx *
- nbsphinx_link *
- numpy *
- pandas *
- scipy *
- six *
- sklearn *
- sphinx ==4.0.2
- sphinx-autodoc-typehints *
- sphinx-automodapi *
- sphinx_rtd_theme ==0.5.2
- torchdrug *
- tqdm *
- class-resolver >=0.2.1
- more-itertools *
- numpy *
- pandas <=1.3.5
- pystow *
- pytdc *
- scikit-learn *
- tabulate *
- torch >=1.10.0
- torch-scatter >=2.0.8
- torchdrug *
- tqdm *
- actions/checkout v2 composite
- actions/setup-python v2 composite
- actions/setup-python v1 composite
- codecov/codecov-action v1 composite