Update README.md

README.md

@@ -1,3 +1,9 @@
 ---
 license: mit
 ---
+
+# 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.