Xiang Fu,
Zhenghao Wu,
Wujie Wang,
Tian Xie,
Sinan Keten,
Rafael Gomez-Bombarelli,
Tommi Jaakkola,
Version 0 of Colab Fit Dataset published 2023 via ColabFit
Approximately 300,000 benchmarking configurations derived partly from the MD-17 and LiPS datasets, partly from original simulated water and alanine dipeptide configurations.