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Models/SPMM

SPMM

Reported on 18 benchmarks across 2 tasks · 1 paper · 8 SOTA

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

Methodology9 results

Molecular Property PredictiononFreeSolv
RMSE· 2022-11-19
1.859
best: 1.09 (SMA)
SOTA
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Molecular Property Predictiononclintox
ROC-AUC· 2022-11-19
91
best: 99.2 (Deep-CBN)
SOTA
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Molecular Property PredictiononClearance
RMSE· 2022-11-19
44.752
SOTA
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Molecular Property PredictiononBACE
RMSE· 2022-11-19
1.108
SOTA
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Molecular Property PredictiononLipophilicity
RMSE· 2022-11-19
0.706
best: 0.603 (Uni-Mol)
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Molecular Property PredictiononBBBP
ROC-AUC· 2022-11-19
73.3
best: 96.4 (DumplingGNN)
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Molecular Property PredictiononSIDER
ROC-AUC· 2022-11-19
64.7
best: 91.11 (BioAct-Het)
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Molecular Property PredictiononBACE
ROC-AUC· 2022-11-19
83
best: 88.4 (MolXPT)
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Molecular Property PredictiononESOL
RMSE· 2022-11-19
0.81
best: 0.58 (MPNN)
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590

Medical9 results

Atomistic DescriptiononFreeSolv
RMSE· 2022-11-19
1.859
best: 1.09 (SMA)
SOTA
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Atomistic Descriptiononclintox
ROC-AUC· 2022-11-19
91
best: 99.2 (Deep-CBN)
SOTA
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Atomistic DescriptiononClearance
RMSE· 2022-11-19
44.752
SOTA
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Atomistic DescriptiononBACE
RMSE· 2022-11-19
1.108
SOTA
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Atomistic DescriptiononLipophilicity
RMSE· 2022-11-19
0.706
best: 0.603 (Uni-Mol)
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Atomistic DescriptiononBBBP
ROC-AUC· 2022-11-19
73.3
best: 96.4 (DumplingGNN)
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Atomistic DescriptiononSIDER
ROC-AUC· 2022-11-19
64.7
best: 91.11 (BioAct-Het)
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Atomistic DescriptiononBACE
ROC-AUC· 2022-11-19
83
best: 88.4 (MolXPT)
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590
Atomistic DescriptiononESOL
RMSE· 2022-11-19
0.81
best: 0.58 (MPNN)
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model arXiv:2211.10590