Datasets:

niccogreek
/

nmr-canonical-cleaned

Tasks:

Feature Extraction

Size:

ArXiv:

Tags:

molecular-representation-learning

Dataset card Files Files and versions

nmr-canonical-cleaned

31.1 GB

1 contributor

History: 12 commits

niccogreek's picture

Format v4 data card metadata

840313a verified 10 days ago

admet
Release v4: add LogD and Sangster logP, rename rich pool 10 days ago
analytics
Release v4: add LogD and Sangster logP, rename rich pool 10 days ago
.gitattributes

2.76 kB
Add cleaned NMRGym and disjoin benchmark about 1 month ago
ANALYTICS.md

3.27 kB
Release v4: add LogD and Sangster logP, rename rich pool 10 days ago
README.md

28.1 kB
Format v4 data card metadata 10 days ago
analyze_main_report.json

389 Bytes
Release v4: add LogD and Sangster logP, rename rich pool 10 days ago
analyze_nmrgym_report.json

304 Bytes
Publish DVC pipeline cleaned dataset v3 30 days ago
analyze_simnmr_report.json

307 Bytes
Publish DVC pipeline cleaned dataset v3 30 days ago
nmrgym.parquet

34.4 MB
xet

Publish DVC pipeline cleaned dataset v3 30 days ago
nmrgym_mol_properties.parquet

33.7 MB
xet

Replace molecular-property CSV sidecars with Parquet 10 days ago
nmrgym_mol_properties_report.json

588 Bytes
Replace molecular-property CSV sidecars with Parquet 10 days ago
nmrgym_report.json

578 Bytes
Publish DVC pipeline cleaned dataset v3 30 days ago
rich.parquet

779 MB
xet

Release v4: add LogD and Sangster logP, rename rich pool 10 days ago
rich_mol_properties.parquet

229 MB
xet

Release v4: add LogD and Sangster logP, rename rich pool 10 days ago
rich_mol_properties_report.json

465 Bytes
Release v4: add LogD and Sangster logP, rename rich pool 10 days ago
simnmr.parquet
17.7 GB
xet

Publish DVC pipeline cleaned dataset v3 30 days ago
simnmr_mol_properties.parquet
12.2 GB
xet

Replace molecular-property CSV sidecars with Parquet 10 days ago
simnmr_mol_properties_report.json

600 Bytes
Replace molecular-property CSV sidecars with Parquet 10 days ago
simnmr_report.json

552 Bytes
Publish DVC pipeline cleaned dataset v3 30 days ago
test_benchmark.parquet

16.1 MB
xet

Publish DVC pipeline cleaned dataset v3 30 days ago
test_benchmark_mol_properties.parquet

10.6 MB
xet

Replace molecular-property CSV sidecars with Parquet 10 days ago
test_benchmark_mol_properties_report.json

610 Bytes
Replace molecular-property CSV sidecars with Parquet 10 days ago
test_benchmark_report.json

651 Bytes
Publish DVC pipeline cleaned dataset v3 30 days ago