Popular repositories Loading

1. difftre difftre Public

   Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting

   Jupyter Notebook 30 9

2. chemtrain chemtrain Public

   Training Neural Network potentials through customizable routines in JAX.

   Python 21 1

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 11 2

5. Fused-EXP-DFT-MLP Fused-EXP-DFT-MLP Public

   Python 11 1

6. relative-entropy relative-entropy Public

   Deep Coarse-grained Potentials via Relative Entropy Minimization

   Python 10