Skip to content
@tummfm

Multiscale Modeling of Fluid Materials

Technical University of Munich TUM

Popular repositories Loading

  1. chemtrain chemtrain Public

    Training Neural Network potentials through customizable routines in JAX.

    Python 55 5

  2. difftre difftre Public

    Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting

    Jupyter Notebook 36 9

  3. jax-dimenet jax-dimenet Public

    Jax / Haiku implementation of DimeNet++.

    Python 18 1

  4. jax-sgmc jax-sgmc Public

    Stochastic Gradient MCMC for Jax

    Python 17 4

  5. relative-entropy relative-entropy Public

    Deep Coarse-grained Potentials via Relative Entropy Minimization

    Python 17 1

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

    Python 14 3

Repositories

Showing 10 of 12 repositories

Top languages

Loading…

Most used topics

Loading…