Datasetpublic

InstaDeepAI/mlipaudit-results

This dataset contains the results for several MLIP models which is displayed on the MLIPAudit leaderboard.

sourceHugging Faceupdated 17d agoView on Hugging Face

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score.json8 linesDownload Raw Back to ViSNet-t1x_int

1{2  "noncovalent_interactions": 0.06852045585503595,3  "nudged_elastic_band": 0.26,4  "reactivity": 0.3562758571781359,5  "water_density": 0.0,6  "water_radial_distribution": 0.0,7  "overall_score": 0.136959262606634388}