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Datasets:
openadmet
/
pxr-challenge-train-test
like
17
Follow
Open ADMET Consortium
107
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
81 MB
3 contributors
History:
25 commits
hmacdope-omsf
Fix license: apache-2.0 -> cc-by-4.0 to match dataset licensing convention
2b6c073
verified
10 days ago
structure_ground_truth
rename
about 1 month ago
.gitattributes
Safe
2.5 kB
Stage data for blind challenge
5 months ago
README.md
Safe
5.93 kB
Fix license: apache-2.0 -> cc-by-4.0 to match dataset licensing convention
10 days ago
pxr-challenge_96-compound-uscale-semi-pure_TRAIN.csv
Safe
35.9 kB
Upload pxr-challenge_96-compound-uscale-semi-pure_TRAIN.csv
3 months ago
pxr-challenge_TEST_BLINDED.csv
Safe
31.8 kB
Stage data for blind challenge
5 months ago
pxr-challenge_TEST_PHASE_1_UNBLINDED.csv
Safe
50.3 kB
Upload pxr-challenge_TEST_PHASE_1_UNBLINDED.csv
3 months ago
pxr-challenge_TEST_PHASE_2_UNBLINDED.csv
Safe
51.8 kB
add phase 2 unblinded activity
about 1 month ago
pxr-challenge_TRAIN.csv
Safe
859 kB
fix OADMET-0001228 stereochemistry
3 months ago
pxr-challenge_counter-assay_TRAIN.csv
Safe
598 kB
update training set for removed compounds and fixed CIs
4 months ago
pxr-challenge_htchem-libraries_TRAIN.csv
Safe
138 kB
Upload pxr-challenge_htchem-libraries_TRAIN.csv
3 months ago
pxr-challenge_single_concentration_TRAIN.csv
Safe
6.29 MB
update training set for removed compounds and fixed CIs
4 months ago
pxr-challenge_structure_TEST_BLINDED.csv
Safe
11.3 kB
Re-add ID cols
3 months ago
pxr-challenge_structure_TEST_identifiers.parquet
Safe
2.84 kB
xet
Upload pxr-challenge_structure_TEST_identifiers.parquet
about 1 month ago