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Datasets:
niccogreek
/
nmr-canonical-cleaned
like
0
Tasks:
Feature Extraction
Size:
100M<n<1B
ArXiv:
arxiv:
2602.08752
arxiv:
2602.10158
arxiv:
2606.20756
Tags:
chemistry
nmr
spectroscopy
molecular-representation-learning
Dataset card
Files
Files and versions
xet
Community
main
nmr-canonical-cleaned
112 GB
1 contributor
History:
8 commits
niccogreek
Add v3 dataset card metadata
ab74a63
verified
5 days ago
admet
Publish DVC pipeline cleaned dataset v3
5 days ago
analytics
Publish DVC pipeline cleaned dataset v3
5 days ago
.gitattributes
Safe
2.76 kB
Add cleaned NMRGym and disjoin benchmark
8 days ago
ANALYTICS.md
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3.35 kB
Publish DVC pipeline cleaned dataset v3
5 days ago
README.md
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25.4 kB
Add v3 dataset card metadata
5 days ago
analyze_main_report.json
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403 Bytes
Publish DVC pipeline cleaned dataset v3
5 days ago
analyze_nmrgym_report.json
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304 Bytes
Publish DVC pipeline cleaned dataset v3
5 days ago
analyze_simnmr_report.json
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307 Bytes
Publish DVC pipeline cleaned dataset v3
5 days ago
nmrgym.parquet
34.4 MB
xet
Publish DVC pipeline cleaned dataset v3
5 days ago
nmrgym_mol_properties.csv
Safe
229 MB
xet
Add cleaned NMRGym and disjoin benchmark
8 days ago
nmrgym_mol_properties_report.json
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347 Bytes
Publish DVC pipeline cleaned dataset v3
5 days ago
nmrgym_report.json
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578 Bytes
Publish DVC pipeline cleaned dataset v3
5 days ago
simnmr.parquet
17.7 GB
xet
Publish DVC pipeline cleaned dataset v3
5 days ago
simnmr_mol_properties.csv
91 GB
xet
Release canonical cleaned NMR datasets v1
11 days ago
simnmr_mol_properties_report.json
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356 Bytes
Publish DVC pipeline cleaned dataset v3
5 days ago
simnmr_report.json
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552 Bytes
Publish DVC pipeline cleaned dataset v3
5 days ago
test_benchmark.parquet
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16.1 MB
xet
Publish DVC pipeline cleaned dataset v3
5 days ago
test_benchmark_mol_properties.csv
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74.9 MB
xet
Publish DVC pipeline cleaned dataset v3
5 days ago
test_benchmark_mol_properties_report.json
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360 Bytes
Publish DVC pipeline cleaned dataset v3
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test_benchmark_report.json
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651 Bytes
Publish DVC pipeline cleaned dataset v3
5 days ago
train_val.parquet
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780 MB
xet
Publish DVC pipeline cleaned dataset v3
5 days ago
train_val_mol_properties.csv
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1.65 GB
xet
Publish DVC pipeline cleaned dataset v3
5 days ago
train_val_mol_properties_report.json
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356 Bytes
Publish DVC pipeline cleaned dataset v3
5 days ago
