Skip to content
@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

Popular repositories Loading

  1. ipcsp ipcsp Public

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

    Python 45 15

  2. ElMD ElMD Public

    The Element Movers Distance for chemical composition similarity

    Python 33 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 20 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 7

  6. FUSE-stable FUSE-stable Public

    The latest stable release for the crystal structure prediction code FUSE

    Python 12 2

Repositories

Showing 10 of 46 repositories
  • VisualisationsWebApp Public

    A web app for charge constrained visualisations based on Danny's work: https://github.com/lrcfmd/visualisations

    lrcfmd/VisualisationsWebApp’s past year of commit activity
    Python 0 BSD-2-Clause 0 0 0 Updated Feb 4, 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 11 MIT 1 0 0 Updated Dec 19, 2024
  • kagome_database Public
    lrcfmd/kagome_database’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Dec 13, 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 7 1 1 Updated Nov 20, 2024
  • ElMD Public

    The Element Movers Distance for chemical composition similarity

    lrcfmd/ElMD’s past year of commit activity
    Python 33 GPL-3.0 9 0 0 Updated Oct 25, 2024
  • General-disorder-prediction Public

    This repository contains models used to predict general disorder of compounds (ordered/disordered, binary classification)

    lrcfmd/General-disorder-prediction’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Oct 15, 2024
  • 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 Sep 11, 2024
  • Disorder-type-prediction Public

    This repository contains models to predict the compound disorder type

    lrcfmd/Disorder-type-prediction’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated Aug 29, 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
View all repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…