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Top 3 denovo-design open source projects

Deep-Drug-Coder

A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.

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python Jupyter Notebook neural-network drug-discovery molecules autoencoders lstm-neural-networks denovo-design smiles-strings

ReinventCommunity

No description or website provided.

✭ 103

Jupyter Notebook python reinforcement-learning cheminformatics jupyter-notebook neural-networks transfer-learning denovo-design astrazeneca

Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure

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python Jupyter Notebook machine-learning topology neural-network hpc pdb protein-structure dataset ab-initio amino-acids denovo protein-design rmsd denovo-design

1-3 of 3 denovo-design projects