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Datasets:
SciLM
/
MaterialsSaddles

Modalities:
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Formats:
parquet
Size:
10M - 100M
Tags:
chemistry
materials-science
transition-states
saddle-points
dimer
nudged-elastic-band
Libraries:
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pandas
Polars
License:
Dataset card Data Studio Files
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2
MaterialsSaddles / scripts /dedup
65 kB
  • 2 contributors
 History: 2 commits
sunghjung3's picture
sunghjung3
Remove 2 one-atom mp20bat triplets with no saddle
39763e5 verified