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SmilesPE. SMILES Pair Encoding: A data-driven substructure representation of chemicals
222MolPMoFiT. Jupyter Notebook
45Hierarchical-QSAR-Modeling. Jupyter Notebook
32DL-in-Chemistry.
19Cheminformatics-Notebooks. Jupyter Notebook
9AIDM-2020-Posters. Accepted Posters to present at the MIT's AI-powered Drug Discovery and Manufacturing Conference 2020.
4CryptoChem. Python
4molds. A collection of molecule datasets for benchmarking machine learning methods.
3blog. A blog website powered by Fastpages
3Bokeh-Interactive-Plots. Jupyter Notebook
2package-Streamlit. Python
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