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Models/ChemBFN

ChemBFN

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
ROC-AUC· 2024-07-28
99.18
best: 99.2 (Deep-CBN)
SOTA
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Molecular Property PredictiononHIV
ROC-AUC· 2024-07-28
79.37
best: 97.3 (Deep-CBN)
SOTA
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Molecular Property PredictiononBBBP
ROC-AUC· 2024-07-28
95.74
best: 96.4 (DumplingGNN)
SOTA
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Molecular Property PredictiononFreeSolv
RMSE· 2024-07-28
1.418
best: 1.09 (SMA)
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Molecular Property PredictiononLipophilicity
RMSE· 2024-07-28
0.746
best: 0.603 (Uni-Mol)
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Molecular Property PredictiononHIV dataset
AUC· 2024-07-28
0.794
best: 0.81 (DVMP)
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Molecular Property PredictiononBACE
ROC-AUC· 2024-07-28
73.56
best: 88.4 (MolXPT)
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Molecular Property PredictiononESOL
RMSE· 2024-07-28
0.884
best: 0.58 (MPNN)
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294

Medical8 results

Atomistic Descriptiononclintox
ROC-AUC· 2024-07-28
99.18
best: 99.2 (Deep-CBN)
SOTA
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Atomistic DescriptiononHIV
ROC-AUC· 2024-07-28
79.37
best: 97.3 (Deep-CBN)
SOTA
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Atomistic DescriptiononBBBP
ROC-AUC· 2024-07-28
95.74
best: 96.4 (DumplingGNN)
SOTA
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Atomistic DescriptiononFreeSolv
RMSE· 2024-07-28
1.418
best: 1.09 (SMA)
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Atomistic DescriptiononLipophilicity
RMSE· 2024-07-28
0.746
best: 0.603 (Uni-Mol)
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Atomistic DescriptiononHIV dataset
AUC· 2024-07-28
0.794
best: 0.81 (DVMP)
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Atomistic DescriptiononBACE
ROC-AUC· 2024-07-28
73.56
best: 88.4 (MolXPT)
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294
Atomistic DescriptiononESOL
RMSE· 2024-07-28
0.884
best: 0.58 (MPNN)
A Bayesian Flow Network Framework for Chemistry Tasks arXiv:2407.20294