Boltzmann Generators and Normalizing Flows in PyTorch

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A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Boulder

Implementation of methods to sample from Boltzmann distributions

An implementation of Boltzmann generators using pytorch.

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Coarse-Grained Boltzmann Generators

Code for Efficient Regression-Based Training of Normalizing Flows for Boltzmann Generators. Paper: https://arxiv.org/abs/2506.01158

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Adapting Boltzmann generators to HOOMD-blue

Using Boltzmann Generators for protein sequences

Code for the paper "Temperature-Annealed Boltzmann Generators" (ICML 2025)

Papers for Boltzmann generators

Experiments with Boltzmann Generators

Deep neural network (Boltzmann generators) with muca

My BC thesis on MCMC and Boltzmann Generators.

A modular high-level libary to train Boltzmann Generators.

A high-level library to make the training of Boltzmann Generators simple and reproducible.