I'm a computer scientist and a doctor in deep learning applied to drug discovery that loves science, music & nerdiness in general!
- Basel
- https://joseparus.com
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reinvent-scaffold-decorator
reinvent-scaffold-decorator PublicA SMILES-based encoder-decoder architecture for molecular scaffold decoration
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reinvent-randomized
reinvent-randomized PublicRecurrent Neural Network using randomized SMILES strings to generate molecules
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reinvent-gdb13
reinvent-gdb13 Public archiveA Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13
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