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@noegroup

AI4Science group, FU Berlin (Frank Noé and co-workers)

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  1. bgflow bgflow Public

    Boltzmann Generators and Normalizing Flows in PyTorch

    Jupyter Notebook 184 47

  2. paper_boltzmann_generators paper_boltzmann_generators Public

    Jupyter Notebook 90 33

  3. stochastic_normalizing_flows stochastic_normalizing_flows Public

    Stochastic Normalizing Flows

    Jupyter Notebook 78 11

  4. ScoreMD ScoreMD Public

    A framework for training energy-based diffusion models for sampling and energy estimation.

    Python 75 5

  5. reform reform Public

    A simple implementation of replica exchange MD simulations for OpenMM.

    Python 24 3

  6. EDMnets EDMnets Public

    parameterizing valid Euclidean distance matrices (EDMs) via neural networks

    Python 19 3

Repositories

Showing 10 of 27 repositories
  • ScoreMD Public

    A framework for training energy-based diffusion models for sampling and energy estimation.

    noegroup/ScoreMD’s past year of commit activity
    Python 75 MIT 5 0 0 Updated Nov 21, 2025
  • OperatorForces4CG Public

    Operator Forces For Coarse-Grained Molecular Dynamics

    noegroup/OperatorForces4CG’s past year of commit activity
    Python 5 MIT 0 0 0 Updated Jul 4, 2025
  • aggforce Public

    Force aggregation code aimed at coarse-grained molecular dynamics

    noegroup/aggforce’s past year of commit activity
    Python 9 Apache-2.0 3 0 1 Updated Jun 30, 2025
  • tmprss2_structures Public
    noegroup/tmprss2_structures’s past year of commit activity
    Python 3 MIT 0 0 0 Updated May 24, 2025
  • bgmol Public

    Molecular mechanics systems and simulation data

    noegroup/bgmol’s past year of commit activity
    Python 18 MIT 9 6 3 Updated Jun 3, 2024
  • submitit Public Forked from facebookincubator/submitit

    Python 3.8+ toolbox for submitting jobs to Slurm

    noegroup/submitit’s past year of commit activity
    Python 0 MIT 143 0 0 Updated May 28, 2024
  • bgflow Public

    Boltzmann Generators and Normalizing Flows in PyTorch

    noegroup/bgflow’s past year of commit activity
    Jupyter Notebook 184 MIT 47 14 (1 issue needs help) 10 Updated Jan 30, 2024
  • rigid-flows Public
    noegroup/rigid-flows’s past year of commit activity
    Jupyter Notebook 12 1 1 0 Updated Dec 13, 2023
  • aggforce-legacy Public

    Mapping forces for bottom-up molecular coarse-graining

    noegroup/aggforce-legacy’s past year of commit activity
    Python 7 Apache-2.0 3 0 1 Updated Nov 30, 2023
  • deep_nanobarcode Public

    Software for deep-learning-based identification of protein nanobarcodes in fluorescence microscopy images

    noegroup/deep_nanobarcode’s past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated Oct 25, 2023
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