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ResearchFormerly WizWand

Regression on MoleculeNet Delaney (test)

0.858RMSEChemBERTa-2
0.8226961.0609981.29931.537602Sep 5, 2022
Updated 8mo ago

Evaluation results

MethodLinks
ChemBERTa-2Pre-training Task=MTR, Pre-training Dataset Size=10M, Evaluation Protocol=Fine-tuned2022.090.858
ChemBERTa-2Pre-training Task=MTR, Pre-training Dataset Size=5M, Evaluation Protocol=Fine-tuned2022.090.874
GCNEvaluation Protocol=Fine-tuned2022.090.8851
ChemBERTa-2Pre-training Task=MTR, Pre-training Dataset Size=77M, Evaluation Protocol=Fine-tuned2022.090.889
ChemBERTa-2Pre-training Task=MLM, Pre-training Dataset Size=5M, Evaluation Protocol=Fine-tuned2022.090.946
ChemBERTa-2Pre-training Task=MLM, Pre-training Dataset Size=10M, Evaluation Protocol=Fine-tuned2022.090.961
ChemBERTa-2Pre-training Task=MLM, Pre-training Dataset Size=77M, Evaluation Protocol=Fine-tuned2022.091.025
D-MPNNEvaluation Protocol=Fine-tuned2022.091.105
RFEvaluation Protocol=Fine-tuned2022.091.7406