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https://github.com/keiserlab/keras-neural-graph-fingerprint
Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
https://github.com/keiserlab/keras-neural-graph-fingerprint
atom differentiable-models fingerprint gpu graph graph-algorithms keras molecule morgan-fingerprints neural-networks tensor
Last synced: about 1 month ago
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Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
- Host: GitHub
- URL: https://github.com/keiserlab/keras-neural-graph-fingerprint
- Owner: keiserlab
- License: mit
- Created: 2016-10-05T23:43:24.000Z (almost 8 years ago)
- Default Branch: master
- Last Pushed: 2019-01-25T06:22:46.000Z (over 5 years ago)
- Last Synced: 2024-07-22T03:36:19.836Z (about 2 months ago)
- Topics: atom, differentiable-models, fingerprint, gpu, graph, graph-algorithms, keras, molecule, morgan-fingerprints, neural-networks, tensor
- Language: Python
- Homepage:
- Size: 3.05 MB
- Stars: 46
- Watchers: 8
- Forks: 24
- Open Issues: 7
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Metadata Files:
- Readme: README.md
- License: license.txt