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  1. SSVAE2.0 SSVAE2.0 Public

    Molecule Generative Model: SemiSupervised Variational Autoencoder for Tensorflow 2.0+

    Python 1

  2. VoxelMolBuilder VoxelMolBuilder Public

    3DCNN Voxel Molecule Autoencoder

    Python

  3. PermeaGAT PermeaGAT Public

    Graph Attention Network to Predict Molecule Gut Permeability

    Python

  4. GesamtProteinSuperposition GesamtProteinSuperposition Public

    Protein Structural Superposition of All the PDBs for a UniProt ID Using Gesamt

    Python

  5. T-Map-Generator T-Map-Generator Public

    T-Map Generator For Chemical Space Visualization

    Python

  6. MultiSmina3 MultiSmina3 Public

    Smina Paralelization Wrap: MultiSmina for Python 3

    Python