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Models/ChemBERTa-2 (MTR-77M)

ChemBERTa-2 (MTR-77M)

Reported on 16 benchmarks across 2 tasks · 1 paper · 6 SOTA

Note: results are matched by exact model name. Different papers may use the same name for different model variants.

Methodology8 results

  • Molecular Property Predictiononclintox
    Molecules (M)· 2022-09-05
    77
    SOTA
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Molecular Property PredictiononClearance
    RMSE· 2022-09-05
    48.515
    best: 44.752 (SPMM)
    SOTA
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Molecular Property PredictiononBACE
    RMSE· 2022-09-05
    1.363
    best: 1.108 (SPMM)
    SOTA
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Molecular Property Predictiononclintox
    ROC-AUC· 2022-09-05
    56.3
    best: 99.2 (Deep-CBN)
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Molecular Property PredictiononLipophilicity
    RMSE· uses extra data· 2022-09-05
    0.798
    best: 0.603 (Uni-Mol)
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Molecular Property PredictiononBBBP
    ROC-AUC· 2022-09-05
    72.8
    best: 96.4 (DumplingGNN)
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Molecular Property PredictiononBACE
    ROC-AUC· 2022-09-05
    79.9
    best: 88.4 (MolXPT)
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Molecular Property PredictiononESOL
    RMSE· 2022-09-05
    0.889
    best: 0.58 (MPNN)
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712

Medical8 results

  • Atomistic Descriptiononclintox
    Molecules (M)· 2022-09-05
    77
    SOTA
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Atomistic DescriptiononClearance
    RMSE· 2022-09-05
    48.515
    best: 44.752 (SPMM)
    SOTA
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Atomistic DescriptiononBACE
    RMSE· 2022-09-05
    1.363
    best: 1.108 (SPMM)
    SOTA
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Atomistic Descriptiononclintox
    ROC-AUC· 2022-09-05
    56.3
    best: 99.2 (Deep-CBN)
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Atomistic DescriptiononLipophilicity
    RMSE· uses extra data· 2022-09-05
    0.798
    best: 0.603 (Uni-Mol)
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Atomistic DescriptiononBBBP
    ROC-AUC· 2022-09-05
    72.8
    best: 96.4 (DumplingGNN)
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Atomistic DescriptiononBACE
    ROC-AUC· 2022-09-05
    79.9
    best: 88.4 (MolXPT)
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712
  • Atomistic DescriptiononESOL
    RMSE· 2022-09-05
    0.889
    best: 0.58 (MPNN)
    ChemBERTa-2: Towards Chemical Foundation ModelsarXiv:2209.01712