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@UCL-CCS

Centre for Computational Science (UCL)

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  1. EasyVVUQ EasyVVUQ Public

    Python 3 framework to facilitate verification, validation and uncertainty quantification (VVUQ) for a wide variety of simulations.

    Jupyter Notebook 92 28

  2. TIES_MD TIES_MD Public

    Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.

    Python 32 6

  3. SCEMa SCEMa Public

    HMM implementation featuring Deal.II (FE) and LAMMPS (MD)

    C++ 19 7

  4. FabSim FabSim Public

    Superseded by FabSim3.

    Python 14 5

  5. HemePure HemePure Public

    HemeLB version with improved memory, compilation and scaling

    C++ 9 9

  6. Nbed Nbed Public

    Python package to reduce the qubit requirements of quantum simulation by embedding into DFT.

    Python 8 2

Repositories

Showing 10 of 33 repositories
  • Nbed Public

    Python package to reduce the qubit requirements of quantum simulation by embedding into DFT.

    UCL-CCS/Nbed’s past year of commit activity
    Python 8 2 15 (5 issues need help) 1 Updated Mar 12, 2025
  • TIES Public

    Topology Superimposition based on joint graph traversal

    UCL-CCS/TIES’s past year of commit activity
    Python 6 MIT 1 8 0 Updated Mar 10, 2025
  • EasyVVUQ Public

    Python 3 framework to facilitate verification, validation and uncertainty quantification (VVUQ) for a wide variety of simulations.

    UCL-CCS/EasyVVUQ’s past year of commit activity
    Jupyter Notebook 92 LGPL-3.0 28 23 (2 issues need help) 2 Updated Mar 10, 2025
  • QSVDD Public
    UCL-CCS/QSVDD’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Feb 11, 2025
  • kinetic_NMI Public
    UCL-CCS/kinetic_NMI’s past year of commit activity
    0 MIT 0 0 0 Updated Dec 30, 2024
  • UCL-CCS/TIES_PM_RNAP_RIF’s past year of commit activity
    0 0 0 0 Updated Dec 9, 2024
  • HemePure Public

    HemeLB version with improved memory, compilation and scaling

    UCL-CCS/HemePure’s past year of commit activity
    C++ 9 BSD-3-Clause 9 2 0 Updated Nov 21, 2024
  • UCL-CCS/HemePure_tools’s past year of commit activity
    C++ 0 BSD-3-Clause 4 0 0 Updated Sep 4, 2024
  • HemePure-GPU Public

    GPU version of HemeLB code (HemePure)

    UCL-CCS/HemePure-GPU’s past year of commit activity
    C++ 5 BSD-3-Clause 9 4 0 Updated May 8, 2024
  • HemePure_SelfCoupled Public

    Self-coupled version of HemeLB

    UCL-CCS/HemePure_SelfCoupled’s past year of commit activity
    C++ 0 BSD-3-Clause 2 0 0 Updated Apr 18, 2024

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