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Popular repositories

  1. site_selectivity site_selectivity Public

    Multitask prediction model for aromatic CH functionalization reactions

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  2. rdkit-tutorials rdkit-tutorials Public

    Forked from rdkit/rdkit-tutorials

    Tutorials to learn how to work with the RDKit

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  3. ipython-notebooks ipython-notebooks Public

    Forked from jdwittenauer/ipython-notebooks

    A collection of IPython notebooks covering various topics.

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  4. im2latex-tensorflow im2latex-tensorflow Public

    Forked from ritheshkumar95/im2latex-tensorflow

    Tensorflow implementation of the HarvardNLP paper - What You Get Is What You See: A Visual Markup Decompiler (https://arxiv.org/pdf/1609.04938v1.pdf)

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  5. descriptastorus descriptastorus Public

    Forked from bp-kelley/descriptastorus

    Descriptor computation(chemistry) and (optional) storage for machine learning

    Python

  6. rdchiral rdchiral Public

    Forked from connorcoley/rdchiral

    Wrapper for RDKit's RunReactants to improve stereochemistry handling

    Jupyter Notebook