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@sparks-baird

Sparks/Baird Materials Informatics

Sterling Baird and Taylor Sparks Materials Informatics Projects

🙋‍Taylor Sparks: Associate Professor of Mat. Sci. & Eng. @ University of Utah and co-host ofMaterialism podcast

🙋‍Sterling Baird: Ph.D. candidate (8/2020-8/2023) in the Sparks Group focusing on data-driven materials discovery

The@sparks-baird organization hosts the joint efforts between Taylor and Sterling in driving the acceleration of materials informatics where AI meets materials science. These applications range from materials property prediction and generative models to exploratory materials optimization and autonomous scientific research.

Contributing

Want to get involved? Be sure to clickFollow at the top-right to stay up-to-date on the latest developments. If you're having issues using one of the repositories or want to discuss topics related to it, feel free to look through the existing issues and discussions for each repository and add new ones if your problem is different. We'll try to get back to you soon to help you with your problem. If you'd like to contribute to a repository, check out GitHub's guide toproject contributions. The same principles apply to suggesting and incorporating changes into our public repositories.

We subscribe to the principle of open-sourcing from the start. This allows for early and iterative community feedback as well as letting others know what we're interested in and what we're working on. As a result, some repositories will be a work-in-progress (WIP). These are some of the best ones to collaborate on! Where appropriate, we are also exploring consolidating repositories and porting functionality into larger "hub" repositories likepymatgen.

Contact

Feel free to drop us a line at:

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  1. self-driving-lab-demoself-driving-lab-demoPublic

    Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-channel spectrophotometer, a microcontroller, and an adaptive…

    Jupyter Notebook 75 11

  2. mat_discovermat_discoverPublic

    A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.

    Python 39 9

  3. matbench-genmetricsmatbench-genmetricsPublic

    Generative materials benchmarking metrics, inspired by guacamol and CDVAE.

    Jupyter Notebook 36 2

  4. xtal2pngxtal2pngPublic

    Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.

    Python 37 3

  5. dist-matrixdist-matrixPublic

    Fast Numba-enabled CPU and GPU computations of Earth Mover's (scipy.stats.wasserstein_distance) and Euclidean distances.

    Python 18 3

  6. auto-paperauto-paperPublic

    The aim of auto-paper is to give you tips, tricks, and tools to accelerate your publication rate and improve publication quality.

    Mathematica 68 8

Repositories

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Showing 10 of 64 repositories
  • self-driving-lab-demo Public

    Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-channel spectrophotometer, a microcontroller, and an adaptive design algorithm, as well as extensions to liquid- and solid-based color matching demos.

    sparks-baird/self-driving-lab-demo’s past year of commit activity
    Jupyter Notebook 75MIT 11 42(1 issue needs help) 0 UpdatedMar 29, 2025
  • dist-matrix Public

    Fast Numba-enabled CPU and GPU computations of Earth Mover's (scipy.stats.wasserstein_distance) and Euclidean distances.

    sparks-baird/dist-matrix’s past year of commit activity
    Python 18MIT 3 0 1 UpdatedJan 3, 2025
  • CrabNet Public Forked fromanthony-wang/CrabNet

    Predict materials properties using only the composition information!

    sparks-baird/CrabNet’s past year of commit activity
    HTML 16MIT 31 16 7 UpdatedSep 9, 2024
  • mat_discover Public

    A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.

    sparks-baird/mat_discover’s past year of commit activity
    Python 39MIT 9 24 5 UpdatedAug 20, 2024
  • matbench-genmetrics Public

    Generative materials benchmarking metrics, inspired by guacamol and CDVAE.

    sparks-baird/matbench-genmetrics’s past year of commit activity
    Jupyter Notebook 36MIT 2 17 0 UpdatedJun 1, 2024
  • matsci-opt-benchmarks Public

    A collection of benchmarking problems and datasets for testing the performance of advanced optimization algorithms in the field of materials science and chemistry.

    sparks-baird/matsci-opt-benchmarks’s past year of commit activity
    Jupyter Notebook 10MIT 1 6 0 UpdatedApr 16, 2024
  • xtal2png Public

    Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.

    sparks-baird/xtal2png’s past year of commit activity
    Python 37MIT 3 26 3 UpdatedOct 4, 2023
  • .github Public
    sparks-baird/.github’s past year of commit activity
    0MIT0 0 0 UpdatedAug 7, 2023
  • CBFV Public Forked fromKaaiian/CBFV

    Tool to quickly create a composition-based feature vector

    sparks-baird/CBFV’s past year of commit activity
    Python 4MIT 5 0 0 UpdatedJun 27, 2023
  • gridrdf Public Forked fromCumbyLab/gridrdf

    Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learning models.

    sparks-baird/gridrdf’s past year of commit activity
    Python0MIT 3 0 0 UpdatedJun 22, 2023

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