Resources and Tools

Code Repositories

• e3fp - 3D molecular fingerprints
• keras-neural-graph-fingerprint - Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al, arXiv 2015

Paper Repositories and Datasets

  Interpretable classification of Alzheimer’s disease pathologies with a convolutional neural network pipeline

• Tang et al. Nat Comm 2019.
• plaquebox-paper - Code repo for Tang et al, Nat Comm 2019
• datasets on zenodo - whole slide image and plaque annotations datasets

  A simple representation of three-dimensional molecular structure

• Axen et al, J Med Chem 2017.
• e3fp - 3D molecular fingerprints
• e3fp-paper - 3D molecular fingerprints (E3FP) paper repo