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@qrefine

Quantum Refinement

Refine proteins using quantum-based methods

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  1. qrefine Public

    Quantum Refinement Module

    Python 22 9

Repositories

Showing 10 of 18 repositories
  • qrefine Public

    Quantum Refinement Module

    Python 22 Apache-2.0 9 8 0 Updated Apr 7, 2025
  • QR4-Gtest Public

    Gradient error analysis from Optimal clustering for quantum refinement of biomolecular structures: Q|R#4

    0 0 0 0 Updated Mar 27, 2025
  • aimnet2calc Public Forked from zubatyuk/aimnet2calc
    Python 0 4 0 0 Updated Jul 11, 2024
  • staged-recipes Public Forked from conda-forge/staged-recipes

    A place to submit conda recipes before they become fully fledged conda-forge feedstocks

    Python 0 BSD-3-Clause 5,235 0 0 Updated Nov 23, 2023
  • paper-4-altlocs Public

    Data storage for paper 4 (alternate locations)

    Python 0 0 0 0 Updated Nov 7, 2020
  • QR3-RSR-cryo-EM Public

    Re-refinement results from Real-space quantum-based refinement for cryo-EM: Q|R#3

    Shell 0 0 0 0 Updated Aug 11, 2020
  • paper_5_low_high_res_pair Public
    Python 0 2 0 0 Updated Oct 29, 2019
  • cryo-EM Public
    SourcePawn 1 1 0 0 Updated Sep 8, 2019
  • paper-3-non-p1 Public

    Data storage for paper 3 (non-P1 space group)

    Python 0 1 1 0 Updated Jul 9, 2019
  • qr-helix-3nir Public
    Python 0 0 0 0 Updated Jun 12, 2019
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