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Datasets:
niccogreek
/
nmr-canonical-cleaned

Tasks:
Feature Extraction
Size:
100M<n<1B
ArXiv:
Tags:
chemistry
nmr
spectroscopy
molecular-representation-learning
Dataset card Files Files and versions
xet
Community
nmr-canonical-cleaned / analytics /test_benchmark
1.1 MB
  • 1 contributor
History: 3 commits
niccogreek's picture
niccogreek
Publish DVC pipeline cleaned dataset v3
2321722 verified 5 days ago
  • test_benchmark_functional_group_prevalence.csv
    737 Bytes
    Publish DVC pipeline cleaned dataset v3 5 days ago
  • test_benchmark_molecular_property_distributions.png
    604 kB
    xet
    Publish DVC pipeline cleaned dataset v3 5 days ago
  • test_benchmark_molecular_property_summary.csv
    2.03 kB
    Publish DVC pipeline cleaned dataset v3 5 days ago
  • test_benchmark_multiplicity_distribution.csv
    2.9 kB
    Publish DVC pipeline cleaned dataset v3 5 days ago
  • test_benchmark_peak_distributions.png
    489 kB
    xet
    Publish DVC pipeline cleaned dataset v3 5 days ago
  • test_benchmark_peak_summary.csv
    1.77 kB
    Publish DVC pipeline cleaned dataset v3 5 days ago
  • test_benchmark_proton_annotation_completeness.csv
    281 Bytes
    Publish DVC pipeline cleaned dataset v3 5 days ago
  • test_benchmark_source_inventory.csv
    320 Bytes
    Publish DVC pipeline cleaned dataset v3 5 days ago