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@tummfm

Multiscale Modeling of Fluid Materials

Technical University of Munich TUM

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  1. chemtrain chemtrain Public

    Training Neural Network potentials through customizable routines in JAX.

    Python 73 8

  2. difftre difftre Public

    Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting

    Jupyter Notebook 38 9

  3. jax-sgmc jax-sgmc Public

    Stochastic Gradient MCMC for Jax

    Python 20 5

  4. jax-dimenet jax-dimenet Public

    Jax / Haiku implementation of DimeNet++.

    Python 18 2

  5. relative-entropy relative-entropy Public

    Deep Coarse-grained Potentials via Relative Entropy Minimization

    Python 18 1

  6. Fused-EXP-DFT-MLP Fused-EXP-DFT-MLP Public

    Python 15 3

Repositories

Showing 10 of 23 repositories
  • chemtrain Public

    Training Neural Network potentials through customizable routines in JAX.

    tummfm/chemtrain's past year of commit activity
    Python 73 Apache-2.0 8 2 0 Updated Oct 1, 2026
  • OpenEquivariance Public Forked from PASSIONLab/OpenEquivariance

    OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.

    tummfm/OpenEquivariance's past year of commit activity
    Python 0 BSD-3-Clause 18 0 0 Updated Sep 29, 2026
  • ConSolv Public
    tummfm/ConSolv's past year of commit activity
    Python 3 0 0 0 Updated Sep 25, 2026
  • lammps Public Forked from lammps/lammps

    Public development project of the LAMMPS MD software package

    tummfm/lammps's past year of commit activity
    C++ 0 GPL-2.0 2,070 0 0 Updated Sep 14, 2026
  • chemtrain-deploy-long-range Public

    chemtrain-deploy long-range benchmark

    tummfm/chemtrain-deploy-long-range's past year of commit activity
    Python 1 0 0 0 Updated Sep 8, 2026
  • tummfm/chemtrain-tutorials's past year of commit activity
    Shell 0 MIT 0 0 0 Updated Sep 7, 2026
  • mace-jax Public Forked from ACEsuit/mace-jax

    Equivariant machine learning interatomic potentials in JAX.

    tummfm/mace-jax's past year of commit activity
    Python 0 29 0 0 Updated Aug 25, 2026
  • gnnpal Public
    Python 1 0 0 0 Updated Jul 15, 2026
  • DiffTTC Public

    Code for the paper “Refining machine learning potentials through thermodynamic theory of phase transitions.”

    tummfm/DiffTTC's past year of commit activity
    Shell 1 MIT 0 0 0 Updated Jun 23, 2026
  • cg-bg Public

    [ICML 2026] Coarse-Grained Boltzmann Generators

    tummfm/cg-bg's past year of commit activity
    Python 11 MIT 0 0 0 Updated Jun 17, 2026

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