All Git Users → keiserlab

3 open source projects by keiserlab

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1. Plaquebox Paper

Repo for Tang et al, bioRxiv 454793 (2018)

✭ 23

jupyter-notebook deep-learning machine-learning convolutional-neural-networks

2. keras-neural-graph-fingerprint

Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015

✭ 47

python atom graph graph-algorithms gpu keras molecule fingerprint neural-networks tensor differentiable-models morgan-fingerprints

3D molecular fingerprints

✭ 93

python cheminformatics fingerprint molecular 3d e3fp

1-3 of 3 user projects