TPDB Benchmark

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Benchmark result files and split tables.

Classification Datasets

Train / Valid / Test Splits

4 methods
Ace Inhibitors
Antibacterial Activity
Anticancer Activity
Antidiabetic Activity
Antifouling Activity
Antifungal Activity
Antihypertensive Activity
Antiinflammatory Activity
Antioxidant Activity
Antiparasitic Activity
Antiviral Activity
Bitter Activity
Blood Brain Barrier Activity
Cell Penetrating Peptides Activity
Hemolysis Activity
Idppiv Activity
Neuropeptide Activity
Neurotoxin Activity
Quorum Sensing Activity
Toxicity Activity
Tumor Homing Peptides Activity
Tumor T Cell Antigens Activity
Umami Activity
Ace Inhibitors
Antibacterial Activity
Anticancer Activity
Antidiabetic Activity
Antifouling Activity
Antifungal Activity
Antihypertensive Activity
Antiinflammatory Activity
Antioxidant Activity
Antiparasitic Activity
Antiviral Activity
Bitter Activity
Blood Brain Barrier Activity
Cell Penetrating Peptides Activity
Hemolysis Activity
Idppiv Activity
Neuropeptide Activity
Neurotoxin Activity
Quorum Sensing Activity
Toxicity Activity
Tumor Homing Peptides Activity
Tumor T Cell Antigens Activity
Umami Activity
Ace Inhibitors
Antibacterial Activity
Anticancer Activity
Antidiabetic Activity
Antifouling Activity
Antifungal Activity
Antihypertensive Activity
Antiinflammatory Activity
Antioxidant Activity
Antiparasitic Activity
Antiviral Activity
Bitter Activity
Blood Brain Barrier Activity
Cell Penetrating Peptides Activity
Hemolysis Activity
Idppiv Activity
Neuropeptide Activity
Neurotoxin Activity
Quorum Sensing Activity
Toxicity Activity
Tumor Homing Peptides Activity
Tumor T Cell Antigens Activity
Umami Activity
Blood Brain Barrier Activity
Cell Penetrating Peptides Activity
Tumor Homing Peptides Activity
Tumor T Cell Antigens Activity

Regression Datasets

Train / Valid / Test Splits

3 tasks
Caco-2 Permeability
Half-life
PAMPA