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  1. chemprop/chemprop chemprop/chemprop Public

    Message Passing Neural Networks for Molecule Property Prediction

    Python 1.8k 595

  2. awesome-chemical-engineering-education awesome-chemical-engineering-education Public

    A curated list of online chemical engineering education resources

    131 16

  3. learningmatter-mit/PatentChem learningmatter-mit/PatentChem Public

    Downloads USPTO patents and finds molecules related to keyword queries

    Python 48 5

  4. microsoft/protein-uq microsoft/protein-uq Public

    Benchmarking uncertainty quantification methods on proteins.

    Shell 18 3

  5. learningmatter-mit/uvvisml learningmatter-mit/uvvisml Public

    Predict optical properties of molecules with machine learning.

    Jupyter Notebook 25 8

  6. vikram-sundar/ML4MolEng_Spring2022 vikram-sundar/ML4MolEng_Spring2022 Public

    Materials for the course Machine Learning for Molecular Engineering (MIT Spring 2022).

    Jupyter Notebook 10 6