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@digital-synthesis-lab Digital Synthesis Lab @ UCLA

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    8 repositories

    • DM2

      Public
      Diffusion models for disordered materials
      Python
      •
      MIT License
      •1•11•0•0•Updated Nov 18, 2025Nov 18, 2025

    • 2025-compression-data

      Public
      Data and notebooks to reproduce the paper: "Maximizing Efficiency of Dataset Compression for Machine Learning Potentials With Information Theory"
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Nov 14, 2025Nov 14, 2025

    • 2025-dm2-data

      Public
      Resources for DM2
      MIT License
      •0•0•0•0•Updated Nov 11, 2025Nov 11, 2025

    • 2025-quests-data

      Public
      Notebooks for: "Model-free estimation of completeness, uncertainties, and outliers in atomistic machine learning using information theory"
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •0•1•0•0•Updated Jun 5, 2025Jun 5, 2025

    • VOID

      Public
      Library to dock molecules in crystal structures, including nanoporous materials
      Python
      •
      MIT License
      •9•1•0•0•Updated Nov 11, 2024Nov 11, 2024

    • conformers

      Public
      Scripts to generate conformers using RDKit
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •0•2•0•0•Updated Oct 7, 2024Oct 7, 2024

    • zeolite-map

      Public
      Zeolite map in JavaScript to visualize the data from the 2023 Digital Discovery paper
      JavaScript
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Aug 30, 2024Aug 30, 2024

    • .github

      Public
      Descriptions for GitHub Organization profile
      0•1•0•0•Updated Aug 11, 2023Aug 11, 2023