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GitHub / chemprop / chemprop
Message Passing Neural Networks for Molecule Property Prediction
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/chemprop%2Fchemprop
Stars: 1,520
Forks: 538
Open Issues: 63
License: other
Language: Python
Repo Size: 406 MB
Dependencies:
43
Created: over 5 years ago
Updated: about 2 months ago
Last pushed: about 2 months ago
Last synced: about 2 months ago
Commit Stats
Commits: 1299
Authors: 73
Mean commits per author: 17.79
Development Distribution Score: 0.5
More commit stats: https://commits.ecosyste.ms/hosts/GitHub/repositories/chemprop/chemprop
Topics: chemistry, drug-discovery, machine-learning, neural-networks
Files
Dependencies
- actions/checkout v3 composite
- github/codeql-action/analyze v2 composite
- github/codeql-action/autobuild v2 composite
- github/codeql-action/init v2 composite
- actions/checkout v2 composite
- actions/checkout master composite
- actions/setup-python v1 composite
- actions/setup-python v3 composite
- pypa/gh-action-pypi-publish release/v1 composite
- mambaorg/micromamba 0.23.0 build
- descriptastorus >=2.6.1
- descriptastorus <2.6.1
- flask >=1.1.2
- hyperopt >=0.2.3
- matplotlib >=3.1.3
- numpy >=1.18.1
- pandas >=1.0.3
- pandas-flavor >=0.2.0
- rdkit >=2020.03.1.0
- scikit-learn >=0.22.2.post1
- scipy >=1.9
- scipy <1.11
- sphinx >=3.1.2
- tensorboardX >=2.0
- torch >=1.4.0
- tqdm >=4.45.0
- typed-argument-parser >=1.6.1
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- gunicorn >=20.0.4
- hyperopt >=0.2.3
- matplotlib >=3.1.3
- numpy >=1.18.1
- pandas >=1.0.3
- pandas-flavor >=0.2.0
- pip >=20.0.2
- python >=3.7
- pytorch >=1.4.0
- rdkit >=2020.03.1.0
- scikit-learn >=0.22.2.post1
- scipy >=1.4.1
- tensorboardx >=2.0
- torchvision >=0.5.0
- tqdm >=4.45.0