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license: mit
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## Sequential Boltzmann Generators Data

This repository contains the data used in the work **Scalable Equilibrium Sampling with Sequential Boltzmann Generators** [*ICML 2025*](https://icml.cc/virtual/2025/poster/45137)

This data is a mixture of novel trajectories for our work, as well as existing trajectories that have been reformatted for ease of use with our [codebase](https://github.com/transferable-samplers/transferable-samplers). 

The sources of each dataset are as follows:
- Ace-A-Nme_300K [Smooth Normalizing Flows](https://arxiv.org/abs/2110.00351)
- AAA_310K [Scalable Equilibrium Sampling with Sequential Boltzmann Generators](https://arxiv.org/abs/2502.18462) (*Ours*)
- Ace-AAA-Nme_300K [Temperature Steerable Flows and Boltzmann Generators](https://arxiv.org/abs/2108.01590)
- AAAAAA_310K [Scalable Equilibrium Sampling with Sequential Boltzmann Generators](https://arxiv.org/abs/2502.18462) (*Ours*)
- GYDPETGTWG_310K [Scalable Equilibrium Sampling with Sequential Boltzmann Generators](https://arxiv.org/abs/2502.18462) (*Ours*)

If you use any of these trajectories please cite the corresponding papers.