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Datasets:
openadmet
/
pxr-challenge-train-test
Like
17
Follow
Open ADMET Consortium
144
Tasks:
Tabular Regression
Modalities:
Tabular
Text
Formats:
csv
Languages:
English
Size:
10K - 100K
Tags:
chemistry
drug-discovery
ADMET
molecular-properties
blind-challenge
computational-chemistry
DOI:
doi:10.57967/hf/9731
Libraries:
Datasets
pandas
Polars
+ 1
License:
cc-by-4.0
Dataset card
Data Studio
Files
Files and versions
xet
Community
1
main
pxr-challenge-train-test
82.2 MB
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4 contributors
History:
32 commits
mariacm12
Remove config for raw DRC (parquet)
063e723
verified
about 1 month ago
structure_ground_truth
rename
4 months ago
.gitattributes
Safe
2.5 kB
Stage data for blind challenge
7 months ago
README.md
Safe
7.2 kB
Remove config for raw DRC (parquet)
about 1 month ago
pxr-challenge_96-compound-uscale-semi-pure_TRAIN.csv
Safe
35.9 kB
Correct SMILES for 10 compounds in semi-pure TRAIN CSV (regiochemical enumeration errors, isomeric corrections, no activity values changed)
2 months ago
pxr-challenge_DRC_plot_data_TEST_UNBLINDED.parquet
Safe
188 kB
xet
Replace combined DRC raw data file with separate train/test files
about 1 month ago
pxr-challenge_DRC_plot_data_TRAIN.parquet
Safe
995 kB
xet
Replace combined DRC raw data file with separate train/test files
about 1 month ago
pxr-challenge_TEST_BLINDED.csv
Safe
31.8 kB
Stage data for blind challenge
7 months ago
pxr-challenge_TEST_PHASE_1_UNBLINDED.csv
Safe
50.3 kB
Upload pxr-challenge_TEST_PHASE_1_UNBLINDED.csv
5 months ago
pxr-challenge_TEST_PHASE_2_UNBLINDED.csv
Safe
51.8 kB
add phase 2 unblinded activity
4 months ago
pxr-challenge_TRAIN.csv
Safe
859 kB
fix OADMET-0001228 stereochemistry
6 months ago
pxr-challenge_counter-assay_TRAIN.csv
Safe
598 kB
update training set for removed compounds and fixed CIs
7 months ago
pxr-challenge_htchem-libraries_TRAIN.csv
Safe
138 kB
Upload pxr-challenge_htchem-libraries_TRAIN.csv
5 months ago
pxr-challenge_single_concentration_TRAIN.csv
Safe
6.29 MB
update training set for removed compounds and fixed CIs
7 months ago
pxr-challenge_structure_TEST_BLINDED.csv
Safe
11.3 kB
Re-add ID cols
6 months ago
pxr-challenge_structure_TEST_identifiers.parquet
Safe
2.84 kB
xet
Upload pxr-challenge_structure_TEST_identifiers.parquet
4 months ago
