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ResearchFormerly WizWand

Molecular Property Prediction (Regression) on ESOL

0.515RMSEMolSight-Best
-4.946431.9180568.7825105.64695Feb 23, 2026Mar 17, 2026Apr 9, 2026May 1, 2026May 24, 2026Jun 15, 2026Jul 8, 2026
Updated 3mo ago

Evaluation results

MethodLinks
MolSight-BestCategory=Image-only, Configuration=best curriculum-trained architecture per task2026.050.515
DMMRL2026.030.535
SGGRL2026.030.575
MvMRL2026.030.601
Weave2026.030.61
Janus-Pro 7B (ICL)Category=VLM, requires LLM/VLM at inference=true, protocol=ICL2026.050.61
MolSight (SigLIP2, S6)Category=Image-only, Configuration=single-model results2026.050.627
GraSeq2026.030.652
FP-GNN2026.030.675
MPNN2026.030.702
RNN2026.030.743
Transformer2026.030.767
TrimNet2026.030.77
Uni-MolCategory=3D GNN, requires 3D conformer generation=true2026.050.788
Opus-4.72026.070.89
GROVER2026.030.911
MolCLRCMPNNModel Type=Graph-based2026.060.911
GCN2026.030.97
GPT-4o (ICL)Category=LLM, requires LLM/VLM at inference=true, protocol=ICL2026.050.98
SVMCategory=ML Models2026.021.01
SciReasoner2026.071.03
SciReasoner2026.071.03
GAT + FPCategory=Hybrid (GNN+FP)2026.021.04
SchNetModel Type=Graph-based2026.061.045
GIN + FPCategory=Hybrid (GNN+FP)2026.021.05
GCN + FPCategory=Hybrid (GNN+FP)2026.021.07
BLIP-2 (LoRA)Category=VLM, requires LLM/VLM at inference=true, protocol=LoRA2026.051.07
MolCLRGINModel Type=Graph-based2026.061.091
N-Gram2026.031.1
MolCLRGCNModel Type=Graph-based2026.061.102
GraphSAGE + FPCategory=Hybrid (GNN+FP)2026.021.11
MolCLR2026.071.11
GPT-4oStrategy=+MOLE-RAG2026.061.138
XGBoostCategory=ML Models2026.021.14
GraSPNet2026.021.161
GPT-4o-miniStrategy=+MOLE-RAG2026.061.171
SimSGT2026.021.213
GROVE2026.021.237
MGCNModel Type=Graph-based2026.061.266
GINCategory=GNN Models2026.021.28
ECFP + OverlapBPERegression Model=XGBoost2026.041.2972
GraphCL2026.021.39
GCNCategory=GNN Models2026.021.39
GraphSAGECategory=GNN Models2026.021.39
ChemDFM14BStrategy=+MOLE-RAG2026.061.467
GROVERModel Type=Graph-based2026.061.475
GATCategory=GNN Models2026.021.48
Random ForestCategory=ML Models2026.021.5
ECFPRegression Model=XGBoost2026.041.5668
GPT-4oStrategy=Baseline2026.061.723
Qwen34B-InstStrategy=+MOLE-RAG2026.061.852
JOAO2026.021.978
GraphFP2026.022.136
Llama3.2-3BStrategy=+MOLE-RAG2026.062.181
ContextPred2026.022.19
EdgePred2026.022.368
Qwen34B-InstStrategy=Baseline2026.062.537
GPT-4o-miniStrategy=Baseline2026.062.835
Mistral7B-InstStrategy=+MOLE-RAG2026.062.89
MGSSL2026.022.936
Infomax2026.022.953
AttrMasking2026.022.954
Llama3.2-3BStrategy=Baseline2026.063.175
Mistral7B-InstStrategy=Baseline2026.063.474
ChemDFM14BStrategy=Baseline2026.064.086
Linear RegressionCategory=ML Models2026.024.4
DeepSeek-V4-Pro2026.075.24
GPT-5.52026.078.72
Kimi-K2.62026.07137.05