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license: mit
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# Timewarp datasets

This dataset contains molecular dynamics simulation data that was used to train the neural networks in the NeurIPS 2023 paper [Timewarp: Transferable Acceleration of Molecular Dynamics by Learning Time-Coarsened Dynamics](https://arxiv.org/abs/2302.01170).

This dataset consists of many molecular dynamics trajectories of small peptides (2-4 amino acids) simulated with an implicit water force field.