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    • qrefine

      Public
      Quantum Refinement Module
      Python
      Apache License 2.0
      92180Updated Dec 17, 2024Dec 17, 2024
    • QR4-Gtest

      Public
      Gradient error analysis from Optimal clustering for quantum refinement of biomolecular structures: Q|R#4
      0000Updated Dec 6, 2024Dec 6, 2024
    • Python
      2000Updated Jul 11, 2024Jul 11, 2024
    • A place to submit conda recipes before they become fully fledged conda-forge feedstocks
      Python
      BSD 3-Clause "New" or "Revised" License
      5k000Updated Nov 23, 2023Nov 23, 2023
    • Data storage for paper 4 (alternate locations)
      Python
      0000Updated Nov 7, 2020Nov 7, 2020
    • Re-refinement results from Real-space quantum-based refinement for cryo-EM: Q|R#3
      Shell
      0000Updated Aug 11, 2020Aug 11, 2020
    • Python
      2000Updated Oct 29, 2019Oct 29, 2019
    • cryo-EM

      Public
      SourcePawn
      1100Updated Sep 8, 2019Sep 8, 2019
    • Data storage for paper 3 (non-P1 space group)
      Python
      1010Updated Jul 9, 2019Jul 9, 2019
    • Python
      0000Updated Jun 12, 2019Jun 12, 2019
    • Python
      0000Updated May 22, 2019May 22, 2019
    • qr-work

      Public
      Python
      1000Updated Apr 11, 2019Apr 11, 2019
    • Helix example for testing quantum refinement
      Python
      2000Updated Jun 13, 2018Jun 13, 2018
    • Files for Q|R testing based on 1yjp
      0100Updated Jun 12, 2018Jun 12, 2018
    • QR-6

      Public
      Find PDB entries with interesting features
      Python
      0000Updated Jan 10, 2018Jan 10, 2018
    • Yoink files needed for the clustering QM of qr-core
      Python
      0000Updated Dec 14, 2017Dec 14, 2017
    • Python
      1000Updated Nov 1, 2017Nov 1, 2017
    • 0000Updated Aug 10, 2017Aug 10, 2017