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

Popular repositories Loading

1. bgflow bgflow Public

   Boltzmann Generators and Normalizing Flows in PyTorch

   Jupyter Notebook 202 50

2. ScoreMD ScoreMD Public

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

   Python 110 13

3. paper_boltzmann_generators paper_boltzmann_generators Public

   Jupyter Notebook 94 36

4. stochastic_normalizing_flows stochastic_normalizing_flows Public

   Stochastic Normalizing Flows

   Jupyter Notebook 80 11

5. reform reform Public

   A simple implementation of replica exchange MD simulations for OpenMM.

   Python 27 5

6. bgmol bgmol Public

   Molecular mechanics systems and simulation data

   Python 20 10