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 42 15

  2. ElMD ElMD Public

    The Element Movers Distance for chemical composition similarity

    Python 31 9

  3. ChemDASH ChemDASH Public

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

    Python 22 8

  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 15 3

  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 14 7

  6. cocrystal_design cocrystal_design Public

    A set of tools to rank molecular pairs by their similarity to components of co-crystal reported in the CSD.

    Jupyter Notebook 11 3

Repositories

Showing 10 of 46 repositories
  • 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
  • FUSE-stable Public

    The latest stable release for the crystal structure prediction code FUSE

    lrcfmd/FUSE-stable’s past year of commit activity
    Python 9 GPL-3.0 1 0 0 Updated Oct 1, 2024
  • 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 Sep 19, 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
  • Element-disorder-prediction Public

    This repository contains models predicting whether each element in the composition formula is ordered/both oredered and disordered/disordered

    lrcfmd/Element-disorder-prediction’s past year of commit activity
    Python 0 1 0 0 Updated Aug 29, 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 1 0 0 Updated Aug 19, 2024
  • Disorder Public

    Classification and statistical analysis of structural disorder in crystalline materials

    lrcfmd/Disorder’s past year of commit activity
    Jupyter Notebook 2 1 0 0 Updated Jul 23, 2024
  • veltiCRYS Public
    lrcfmd/veltiCRYS’s past year of commit activity
    Python 5 GPL-3.0 1 0 0 Updated Jul 17, 2024
  • HyperConvexHull Public

    Computed Phase Diagrams for hyper-dimensional convex hull with Materials Project references

    lrcfmd/HyperConvexHull’s past year of commit activity
    Python 0 0 0 0 Updated Jun 24, 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…