Langevin Dynamics Python Packages

torchebm

🍓 Build and train energy-based and diffusion models in PyTorch ⚡.

synth-dynamics

Fast Langevin dynamics engine using the Anisotropic Network Model (ANM) for rapid protein conformational ensemble generation.

langevitour

Langevin dynamics based tours of data, in Javascript with R wrapper.

globaloptimizationhrla

A package to solve global optimization problems in small dimensions. The method is based on sampling algorithms, and specifically implements the high-resolution Langevin algorithm.

pydiffuser

A simulation framework for nonequilibrium statistical physics

tati

Sampling-based approach to analyse neural networks using TensorFlow