Sparks/Baird Materials Informatics
- 74 followers
- United States of America
- sterling.baird@utah.edu
🙋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.
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.
Feel free to drop us a line at:
- sterling.baird@utah.edu
- sparks@eng.utah.edu
- LinkedIn [Sterling,Taylor]
- Twitter [Sterling,Taylor].
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- self-driving-lab-demo
self-driving-lab-demo PublicSoftware 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…
- mat_discover
mat_discover PublicA materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
- matbench-genmetrics
matbench-genmetrics PublicGenerative materials benchmarking metrics, inspired by guacamol and CDVAE.
- dist-matrix
dist-matrix PublicFast Numba-enabled CPU and GPU computations of Earth Mover's (scipy.stats.wasserstein_distance) and Euclidean distances.
- auto-paper
auto-paper PublicThe aim of auto-paper is to give you tips, tricks, and tools to accelerate your publication rate and improve publication quality.
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 - 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 - 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 - matbench-genmetrics Public
Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
sparks-baird/matbench-genmetrics’s past year of commit activity - 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 - 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