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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 75 repositories
  • 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 9 Updated Jan 31, 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 Jan 30, 2025
  • fragalysis-package Public

    A repo for analysis of ensembles of protein-ligand complexes

    xchem/fragalysis-package’s past year of commit activity
    Python 29 Apache-2.0 12 1 0 Updated Jan 30, 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 0 0 Updated Jan 30, 2025
  • 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 Jan 30, 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 Jan 30, 2025
  • CreoptixFitting Public Forked from vanngocthuyla/gci

    fork of vanngocthuyla/gci for use at XChem

    xchem/CreoptixFitting’s past year of commit activity
    Python 0 MIT 1 0 0 Updated Jan 29, 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 Jan 28, 2025
  • fragalysis-pymol-scripts Public

    Repository containing pymol scripts that are included in all Fragalysis downloads

    xchem/fragalysis-pymol-scripts’s past year of commit activity
    Python 0 Apache-2.0 0 0 0 Updated Jan 28, 2025
  • XChemExplorer Public Forked from tkrojer/XChemExplorer
    xchem/XChemExplorer’s past year of commit activity
    Python 7 13 72 0 Updated Jan 28, 2025
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