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Merge pull request #12 from Innoplexus-opensource/main
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Reverting ADMET submission
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@amva13
amva13 authored Dec 2, 2024
2 parents a36f168 + cf78e7d commit ae59e08
Showing 1 changed file with 1 addition and 59 deletions.
60 changes: 1 addition & 59 deletions benchmark/leaderboards.py
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"BaseBoosting KyQVZ6b2", "David Huang", "[email protected]", "https://github.com/Oloren-AI/OCE-TDC/tree/main",
"https://chemrxiv.org/engage/chemrxiv/article-details/6350b9d186473a47d31a8492", "N/A", 0.479
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[
"Innoplexus ADME", "Rohit Yadav", "[email protected]",
"https://github.com/Innoplexus-opensource/ics-therapeutics-data-commons/tree/main",
"https://github.com/Innoplexus-opensource/ics-therapeutics-data-commons/blob/main/Innoplexus_ADME_Model_report.pdf",
"N/A", 0.499
],
[
"CMPNN", "Devansh Amin", "[email protected]", "https://github.com/devanshamin/LitGNN",
"https://www.ijcai.org/Proceedings/2020/392", "3.0 M", 0.515
Expand Down Expand Up @@ -324,10 +318,6 @@
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Expand Down Expand Up @@ -381,11 +371,6 @@
"Chemprop-RDKit", "Kyle Swanson", "[email protected]", "https://github.com/chemprop/chemprop",
"https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237", "N/A", 0.761
],
[
"Innoplexus ADME", "Rohit Yadav", "[email protected]", "https://github.com/Innoplexus-opensource/\
ics-therapeutics-data-commons/tree/main", "https://github.com/Innoplexus-opensource/ics-therapeutics-data\
-commons/blob/main/Innoplexus_ADME_Model_report.pdf", "N/A", 0.771
],
[
"DeepMol (AutoML) ", "DeepMol Team", "[email protected]", "https://github.com/BioSystemsUM/deepmol_case_studies",
"https://doi.org/10.1101/2024.05.27.595849", "N/A", 0.775
Expand Down Expand Up @@ -430,10 +415,6 @@
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Expand Down Expand Up @@ -814,12 +795,6 @@
"Chemprop-RDKit", "Kyle Swanson", "[email protected]", "https://github.com/chemprop/chemprop",
"https://pubs.acs.org/doi/full/10.1021/acs.jcim.9b00237", "N/A", 8.288
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[
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"N/A", 8.582
],
[
"CFA", "Nan Jiang", "[email protected]", "https://github.com/F-LIDM/CFA4DD",
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Expand Down Expand Up @@ -872,10 +847,6 @@
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Expand Down Expand Up @@ -909,12 +880,6 @@
"MapLight + GNN", "Jim Notwell", "[email protected]", "https://github.com/maplightrx/MapLight-TDC",
"https://arxiv.org/abs/2310.00174", "N/A", 0.713
],
[
"Innoplexus ADME", "Rohit Yadav", "[email protected]",
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"N/A", 0.707
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[
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Expand Down Expand Up @@ -967,10 +932,6 @@
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Expand Down Expand Up @@ -1696,11 +1657,6 @@
"Voting Regressor (KNN, SVM)", "Euclia", "[email protected]", "https://tdcommons.ai/benchmark/admet_group/16halflife/",
"https://tdcommons.ai/benchmark/admet_group/16halflife/", "5", 0.544
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Expand Down Expand Up @@ -1751,10 +1707,6 @@
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Expand Down Expand Up @@ -1804,12 +1756,6 @@
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"https://arxiv.org/abs/2310.00174", "N/A", 0.466
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[
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"https://github.com/Innoplexus-opensource/ics-therapeutics-data-commons/blob/main/Innoplexus_ADME_Model_report.pdf",
"N/A", 0.457
],
[
"Basic ML", "Nilavo Boral", "[email protected]", "https://github.com/NilavoBoral/Therapeutics-Data-Commons",
"https://www.biorxiv.org/content/10.1101/2022.06.29.115436v1", "N/A", 0.440
Expand Down Expand Up @@ -1860,10 +1806,6 @@
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Expand Down Expand Up @@ -2796,4 +2738,4 @@
[],
[],
],
}
}

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