keras-neural-graph-fingerprint
PublicKeras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
atomdifferentiable-modelsfingerprintgpugraphgraph-algorithmskerasmoleculemorgan-fingerprintsneural-networks
Creat:2016-10-06T07:43:24
Update:2024-05-22T12:22:49
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