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Tdc Admet Benchmarking Group On Tdcommons

Metrics

TDC.Caco2_Wang

Results

Performance results of various models on this benchmark

Paper TitleRepository
MapLight0.276ADMET property prediction through combinations of molecular fingerprints
AttentiveFP0.401Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
Galactica-GAL-120B-Galactica: A Large Language Model for Science
Galactica-GAL-125M-Galactica: A Large Language Model for Science
XGBoost0.288Accurate ADMET Prediction with XGBoost
AttrMasking0.546Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
GCN0.599Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
Galactica-GAL-30B-Galactica: A Large Language Model for Science
MLP-RDKit2D0.393Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
Galactica-GAL-6.7B-Galactica: A Large Language Model for Science
DeepMol0.297DeepMol: An Automated Machine and Deep Learning Framework for Computational Chemistr-
Galactica-GAL-1.3B-Galactica: A Large Language Model for Science
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