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@ddmms

data-driven materials and molecular science

data-driven materials and molecular science

Popular repositories Loading

  1. ml-peg ml-peg Public

    ML Performance and Extrapolation Guide

    Python 33 42

  2. data data Public

    10 1

  3. pack-mm pack-mm Public

    packing molecules and materials

    Python 6 4

  4. scarf scarf Public

    just some markdown notes

    1

  5. lavello_mlips lavello_mlips Public

    process omol25 from stfc echo... but can be any echo

    Python 1

  6. x23 x23 Public

    x23 molecular crystals

Repositories

Showing 9 of 9 repositories
  • ml-peg Public

    ML Performance and Extrapolation Guide

    ddmms/ml-peg’s past year of commit activity
    Python 33 GPL-3.0 42 114 37 Updated Apr 7, 2026
  • lavello_mlips Public

    process omol25 from stfc echo... but can be any echo

    ddmms/lavello_mlips’s past year of commit activity
    Python 1 BSD-3-Clause 0 0 12 Updated Apr 7, 2026
  • scarf Public

    just some markdown notes

    ddmms/scarf’s past year of commit activity
    1 0 0 0 Updated Mar 12, 2026
  • pack-mm Public

    packing molecules and materials

    ddmms/pack-mm’s past year of commit activity
    Python 6 MIT 4 4 0 Updated Mar 3, 2026
  • data Public
    ddmms/data’s past year of commit activity
    10 1 0 0 Updated Dec 8, 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 1 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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