DSPsleeporg/smiles-transformer

Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.

Why it is useful: Drug discovery and ADMET ML repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.

GitHub signals: 358 stars, 64 forks, primary language: Jupyter Notebook.

Citation: GitHub repository: DSPsleeporg/smiles-transformer