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  • Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

    JavaScript 1 MIT License Updated Feb 1, 2024
  • edbo Public

    Experimental Design via Bayesian Optimization

    Jupyter Notebook 126 42 MIT License Updated Apr 23, 2022
  • resources Public

    Forked from PatWalters/resources

    A Highly Opinionated List of Open Source Cheminformatics Resources

    MIT License Updated Nov 19, 2020
  • auto-QChem Public

    Quantum mechanical descriptor generation

    Mathematica 52 12 MIT License Updated Oct 27, 2020
  • EvML Public

    Benchmarking human and machine learning performance.

    Jupyter Notebook 32 7 MIT License Updated Jun 9, 2020
  • Schema for the Open Reaction Database initiative, based in part on survey of importance (https://bit.ly/2H3eScY)

    Python 1 Apache License 2.0 Updated Apr 30, 2020
  • Jupyter Notebook 2 1 GNU General Public License v3.0 Updated Apr 17, 2020