MolCrystalFlow Data and Model Checkpoints

Github: https://github.com/Liu-Group-UF/MolCrystalFlow arXiv preprint: https://arxiv.org/abs/2602.16020 "thurlemann23.zip" contains the raw and preprocessed data for the Thürlemann molecular crystal data. Details of the preprocessing pipeline are available at this link in our Github repository. "omc25-mcf.zip" includes the raw and preprocessed data for the OMC25-MCF subset derived from the OMC25 dataset. The data preparation procedure is documented in this script available at our Github repository. "model-checkpoints.zip" provides the trained model checkpoints and configuration files used for both datasets.

Impact byBIP!

	selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	0
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Average
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Average
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Average

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