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@ddmms

data-driven materials and molecular science

data-driven materials and molecular science

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  1. ml-peg ml-peg Public

    ML Performance and Extrapolation Guide

    Python 28 31

  2. data data Public

    8 1

  3. pack-mm pack-mm Public

    packing molecules and materials

    Python 6 4

  4. x23 x23 Public

    x23 molecular crystals

  5. data-tutorials data-tutorials Public

    Python

  6. LLM-DFT-input-generation LLM-DFT-input-generation Public

    Here we plan use LLMs to generate input files for different DFT packages

    Jupyter Notebook 2

Repositories

Showing 7 of 7 repositories
  • ml-peg Public

    ML Performance and Extrapolation Guide

    ddmms/ml-peg’s past year of commit activity
    Python 28 GPL-3.0 31 107 25 Updated Feb 11, 2026
  • data Public
    ddmms/data’s past year of commit activity
    8 1 0 0 Updated Dec 8, 2025
  • pack-mm Public

    packing molecules and materials

    ddmms/pack-mm’s past year of commit activity
    Python 6 MIT 4 4 2 Updated Nov 6, 2025
  • data-tutorials Public
    ddmms/data-tutorials’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jul 28, 2025
  • LLM-DFT-input-generation Public

    Here we plan use LLMs to generate input files for different DFT packages

    ddmms/LLM-DFT-input-generation’s past year of commit activity
    Jupyter Notebook 0 2 7 0 Updated Jun 2, 2025
  • camml-tutorials Public
    ddmms/camml-tutorials’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated May 29, 2025
  • x23 Public

    x23 molecular crystals

    ddmms/x23’s past year of commit activity
    0 0 0 0 Updated Jul 19, 2024

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