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https://github.com/chemprop/chemprop

Message Passing Neural Networks for Molecule Property Prediction
https://github.com/chemprop/chemprop

chemistry drug-discovery machine-learning neural-networks

Last synced: about 2 months ago
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Message Passing Neural Networks for Molecule Property Prediction

Host: GitHub
URL: https://github.com/chemprop/chemprop
Owner: chemprop
License: other
Created: 2019-01-25T23:33:22.000Z (over 5 years ago)
Default Branch: master
Last Pushed: 2024-04-14T05:33:41.000Z (5 months ago)
Last Synced: 2024-04-14T12:11:55.590Z (5 months ago)
Topics: chemistry, drug-discovery, machine-learning, neural-networks
Language: Python
Homepage: https://chemprop.csail.mit.edu
Size: 406 MB
Stars: 1,520
Watchers: 37
Forks: 538
Open Issues: 63
Metadata Files:
- Readme: README.md
- Contributing: CONTRIBUTING.md
- License: LICENSE.txt
- Citation: CITATIONS.bib