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Clementi Group

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  1. LSDMap-DM-d-MD LSDMap-DM-d-MD Public

    Locally-Scaled Diffusion Maps, DM-d-MD

    Python 12 1

  2. cg-mapping cg-mapping Public

    Implementation of methods to compute the optimal mapping strategies

    Python 6

  3. pyODEM pyODEM Public

    Python implementation for the Observable-driven Design of Effective molecular Models (ODEM).

    Python 4 2

  4. torchmd-net torchmd-net Public

    Forked from torchmd/torchmd-net

    Neural network potentials based on graph neural networks and equivariant transformers

    Python 2 1

  5. S3D S3D Public

    Space Time Diffusion Map tools for identifying coherent domains in macromolecules

    Jupyter Notebook 1 1

  6. ExTASY ExTASY Public

    user-friendly and scalably execute adaptive sampling molecular dynamics on HPCs

    Python 1 3

Repositories

Showing 10 of 12 repositories
  • accurate_nuclear_quantum_statistics_on_machine_learned_classical_effective_potentials Public
    ClementiGroup/accurate_nuclear_quantum_statistics_on_machine_learned_classical_effective_potentials’s past year of commit activity
    Jupyter Notebook 0 CC-BY-SA-4.0 0 0 0 Updated Jul 10, 2024
  • cg-mapping Public

    Implementation of methods to compute the optimal mapping strategies

    ClementiGroup/cg-mapping’s past year of commit activity
    Python 6 0 0 1 Updated Jan 27, 2023
  • pyODEM Public

    Python implementation for the Observable-driven Design of Effective molecular Models (ODEM).

    ClementiGroup/pyODEM’s past year of commit activity
    Python 4 2 0 0 Updated Jan 17, 2023
  • torchmd-net Public Forked from torchmd/torchmd-net

    Neural network potentials based on graph neural networks and equivariant transformers

    ClementiGroup/torchmd-net’s past year of commit activity
    Python 2 MIT 74 0 0 Updated Jan 25, 2022
  • CGmanybody Public
    ClementiGroup/CGmanybody’s past year of commit activity
    Python 1 0 0 0 Updated Mar 8, 2021
  • ExTASY Public

    user-friendly and scalably execute adaptive sampling molecular dynamics on HPCs

    ClementiGroup/ExTASY’s past year of commit activity
    Python 1 3 1 0 Updated Mar 11, 2020
  • S3D_application Public

    example codes of the workflow of S3D for folded proteins and IDPs

    ClementiGroup/S3D_application’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Jul 11, 2019
  • pyFrustration Public Forked from TensorDuck/pyFrustration
    ClementiGroup/pyFrustration’s past year of commit activity
    Python 0 1 0 0 Updated Mar 1, 2019
  • S3D Public

    Space Time Diffusion Map tools for identifying coherent domains in macromolecules

    ClementiGroup/S3D’s past year of commit activity
    Jupyter Notebook 1 1 0 0 Updated Jul 17, 2017
  • DensityPlotMaker Public Forked from jp43/DensityPlotMaker
    ClementiGroup/DensityPlotMaker’s past year of commit activity
    Python 0 3 0 0 Updated May 12, 2016
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