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The Antiviral Competition ResultsSee the results of the Polaris competition, organized by ASAP Discovery and OpenADMET.

Benchmark

Relevant benchmarks

A benchmark wraps a dataset with additional meta-data to turn it into a machine-learning task. Importantly, the meta-data specifies the evaluation logic, such as the split and metrics to use.

Graphic - Benchmark
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(157 benchmarks total)

polaris/molprop-leadlike-250k-reg-v2
Multi TaskRegression
Split: 202,183 / 47,8162024-07-16
biogen/adme-fang-reg-v1
Multi TaskRegression
Split: 2,816 / 7052024-07-16
jonny/none
Single TaskRegression
Split: 3,000 / 5212024-03-20
jonny/test
Single TaskRegression
Split: 3,000 / 5212024-03-20
polaris/pkis2-ret-wt-cls-v3
Single TaskClassification
Split: 534 / 1062024-07-30
polaris/pkis2-ret-wt-reg-v3
Single TaskRegression
Split: 534 / 1062024-07-30
polaris/pkis2-lok-slk-cls-v3
Multi TaskClassification
Split: 508 / 1322024-07-30
polaris/pkis2-lok-slk-reg-v3
Multi TaskRegression
Split: 508 / 1322024-07-30
polaris/pkis2-lok-slk-c-1
Multi TaskClassification
Split: 508 / 1322023-12-08
graphium/qm9-v1
Multi TaskRegression
Split: 120,497 / 13,3882024-07-19
molecularml/moleculeace-chembl1862-ki
Single TaskRegression
Split: 633 / 1612024-07-24
molecularml/moleculeace-chembl233-ki
Single TaskRegression
Split: 2,512 / 6302024-07-24
polaris/adme-fang-rclint-1
Single TaskRegression
Split: 2,218 / 5592023-12-08
cwognum/test-2
Single TaskRegression
Split: 1,400 / 7732024-03-21
graphium/tox21-v1
Multi TaskClassification
Split: 7,048 / 7832024-07-19
molecularml/moleculeace-chembl2835-ki
Single TaskRegression
Split: 489 / 1262024-07-24
graphium/pcba-1328-1564k-v1
Multi TaskClassification
Split: 8 / 22024-07-19
jonny/test-2
Single TaskRegression
Split: 3,000 / 5212024-03-20
tdcommons/lipophilicity-astrazeneca
Single TaskRegression
Split: 3,360 / 8402024-07-22
polaris/adme-fang-perm-1
Single TaskRegression
Split: 1,919 / 4832023-12-08

Showing 61 to 80 of 157 benchmarks

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