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@lrcfmd

Leverhulme Research Centre for Functional Materials Design

Code hosted here has been developed by researchers working with the LRC, hosted at the University of Liverpool

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  1. ipcsp ipcsp Public

    Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings

    Python 47 15

  2. ElMD ElMD Public

    The Element Movers Distance for chemical composition similarity

    Python 34 9

  3. ChemDASH ChemDASH Public

    Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments

    Python 22 9

  4. LiIonML LiIonML Public

    A collection of notebooks in support of the publication "A Database of Experimentally Measured Lithium Solid Electrolyte Conductivities Evaluated with Machine Learning"

    Jupyter Notebook 21 4

  5. ICSDClient ICSDClient Public

    A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/index.xhtml for further details.

    Python 17 8

  6. LEAF LEAF Public

    Local Environment-based Atomic Features

    Python 13 1

Repositories

Showing 10 of 43 repositories
  • PhaseFieldRanking Public

    Unsupervised ranking of the elemental combinations (phase fields) by similarity with the patterns learnt from ICSD

    lrcfmd/PhaseFieldRanking’s past year of commit activity
    HTML 8 MIT 3 1 1 Updated Apr 14, 2025
  • Disorder Public

    Disorder classification in crystal structures

    lrcfmd/Disorder’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Mar 28, 2025
  • Site-Net-DeepInfoMax Public

    Implementation of the Deep InfoMax self-supervised learning methodology on top of Site-Net

    lrcfmd/Site-Net-DeepInfoMax’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Mar 23, 2025
  • ElMD Public

    The Element Movers Distance for chemical composition similarity

    lrcfmd/ElMD’s past year of commit activity
    Python 34 GPL-3.0 9 0 0 Updated Mar 21, 2025
  • kagome_database Public
    lrcfmd/kagome_database’s past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated Mar 19, 2025
  • FUSE-stable Public

    The latest stable release for the crystal structure prediction code FUSE

    lrcfmd/FUSE-stable’s past year of commit activity
    Python 12 GPL-3.0 2 0 0 Updated Jan 29, 2025
  • LEAF Public

    Local Environment-based Atomic Features

    lrcfmd/LEAF’s past year of commit activity
    Python 13 MIT 1 0 0 Updated Dec 19, 2024
  • ICSDClient Public

    A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/index.xhtml for further details.

    lrcfmd/ICSDClient’s past year of commit activity
    Python 17 GPL-3.0 8 1 1 Updated Nov 20, 2024
  • lpoolmat_llms Public Forked from fedeotto/lpoolmat_llms
    lrcfmd/lpoolmat_llms’s past year of commit activity
    Jupyter Notebook 0 2 0 0 Updated Aug 19, 2024
  • veltiCRYS Public
    lrcfmd/veltiCRYS’s past year of commit activity
    Python 5 GPL-3.0 1 0 0 Updated Jul 17, 2024
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