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  1. fragalysis-package fragalysis-package Public

    A repo for analysis of ensembles of protein-ligand complexes

    Python 29 12

  2. fragalysis-api fragalysis-api Public

    A python API for fragalysis (fragalysis.diamond.ac.uk)

    Jupyter Notebook 11 5

  3. XChemExplorer XChemExplorer Public

    Forked from tkrojer/XChemExplorer

    Python 7 8

  4. fragalysis-frontend fragalysis-frontend Public

    The React, Redux frontend built by webpack

    JavaScript 7 13

  5. fragalysis-backend fragalysis-backend Public

    Django backend loader and Restful API for fragalysis server

    Python 6 10

  6. enamine-real-search enamine-real-search Public

    Wrapper around similarity and substructure searching functionality on enaminestore.com

    Jupyter Notebook 6

Repositories

Showing 10 of 79 repositories
  • fragalysis-frontend Public

    The React, Redux frontend built by webpack

    xchem/fragalysis-frontend’s past year of commit activity
    JavaScript 7 13 17 11 Updated Mar 12, 2025
  • xchem-align Public

    Tools to generate input data for Fragalysis

    xchem/xchem-align’s past year of commit activity
    Python 1 Apache-2.0 3 9 3 Updated Mar 12, 2025
  • fragalysis-backend Public

    Django backend loader and Restful API for fragalysis server

    xchem/fragalysis-backend’s past year of commit activity
    Python 6 Apache-2.0 10 39 10 Updated Mar 12, 2025
  • fragalysis Public

    The root repository for the Fragalysis Stack application - a 'base' for documentation

    xchem/fragalysis’s past year of commit activity
    0 Apache-2.0 0 1 0 Updated Mar 11, 2025
  • 3C_FFF Public
    xchem/3C_FFF’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Mar 10, 2025
  • FFF_Template Public template

    Template repository for FFF projects

    xchem/FFF_Template’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Mar 7, 2025
  • fragalysis-stack-kubernetes Public Forked from InformaticsMatters/dls-fragalysis-stack-kubernetes

    Ansible playbooks and roles to deploy the Fragalysis Stack to Kubernetes

    xchem/fragalysis-stack-kubernetes’s past year of commit activity
    Jinja 0 4 0 0 Updated Mar 4, 2025
  • metagrate Public

    metadata.csv migration between Fragalysis versions

    xchem/metagrate’s past year of commit activity
    Python 0 0 1 0 Updated Mar 4, 2025
  • fragalysis-stack Public

    Docker-compose stack for running fragalysis application

    xchem/fragalysis-stack’s past year of commit activity
    Dockerfile 3 Apache-2.0 7 0 0 Updated Mar 4, 2025
  • CpKRS_FFF Public

    CpKRS FFF Campaign

    xchem/CpKRS_FFF’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Feb 24, 2025
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