nicoliKim

sde_sampler

Improved sampling via learned diffusions (ICLR2024) and an optimal control perspective on diffusion-based generative modeling (TMLR2024)

example_project_ml_cluster

An example ML project using hydra for configuration and abstracting away apptainer runtimes on the IDA SLURM cluster. This is not a generally recommended setup for SLURM and apptainer, but a special solution for the IDA cluster.

emicore

OscillatoryFlows

flowMC

Normalizing-flow enhanced sampling package for probabilistic inference in Jax

thingsvision

Python package for extracting representations from state-of-the-art computer vision models

zennit

Zennit is a high-level framework in Python using PyTorch for explaining/exploring neural networks using attribution methods like LRP.

schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems