gaphui's picture
Initial release of MLIP-liquid-corrections
cf51c19 verified
|
Raw History Blame Contribute Delete
516 Bytes

Citation

When using MLIP-liquid-corrections, acknowledge this release and cite its upstream data publications:

  • The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models, arXiv:2505.08762.
  • For SPICE-origin structures: Peter Eastman et al., SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials, Scientific Data 10, 11 (2023), doi:10.1038/s41597-022-01882-6.