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Description-guided molecule design on ChEBI-20 2022 (test)

52.2Exact Match AccuracyBioT5+
-2.08812.00626.140.194Oct 11, 2023Nov 3, 2023Nov 26, 2023Dec 19, 2023Jan 11, 2024Feb 3, 2024Feb 27, 2024

Evaluation results

MethodLinks
BioT5+Evaluation protocol=LLM-based Generalist Models2024.0252.20.87212.7760.9070.8350.7790.3530.579100
BioT5Evaluation protocol=Single-task Specialist Models2024.0241.30.86715.0970.8860.8010.7340.430.576100
BioT5#Params.=252M2023.1041.30.86715.0970.8860.8010.7340.430.576100
MolT5-large#Params.=783M2023.1031.10.85416.0710.8340.7460.6841.20.55490.5
GPT-4-0314Evaluation protocol=Retrieval-based LLMs (MolReGPT), shots=102024.02280.85717.140.9030.8050.7390.410.59389.9
T5-large#Params.=783M2023.1027.90.85416.7210.8230.7310.671.220.55290.2
MolXPTEvaluation protocol=Single-task Specialist Models2024.0221.5——0.8590.7570.6670.450.57898.3
MolXPT#Params.=350M2023.1021.5——0.8590.7570.6670.450.57898.3
MolFM-baseEvaluation protocol=Single-task Specialist Models2024.02210.82219.4450.8540.7580.697—0.58389.2
MoMu-baseEvaluation protocol=Single-task Specialist Models2024.0218.30.81520.520.8470.7370.678—0.5886.3
GPT-3.5-turboEvaluation protocol=Retrieval-based LLMs (MolReGPT), shots=102024.0213.90.7924.910.8470.7080.6240.570.57188.7
GPT-3.5-turbo#Params.=>175B, Evaluation Protocol=10-shot MolReGPT2023.1013.90.7924.910.8470.7080.6240.570.57188.7
MoT5-baseEvaluation protocol=Single-task Specialist Models2024.028.10.76924.4580.7210.5880.5292.180.49677.2
MolT5-base#Params.=248M2023.108.10.76924.4580.7210.5880.5292.180.49677.2
MolT5-small#Params.=77M2023.107.90.75525.9880.7030.5680.5172.490.48272.1
T5-baseEvaluation protocol=Single-task Specialist Models2024.026.90.76224.950.7310.6050.5452.480.49966
T5-base#Params.=248M2023.106.90.76224.950.7310.6050.5452.480.49966
T5-small#Params.=77M2023.106.40.74127.7030.7040.5780.5252.890.47960.8
GIT-MolEvaluation protocol=Single-task Specialist Models2024.025.10.75626.3150.7380.5820.519——92.8
Llama2-7BEvaluation protocol=Retrieval-based LLMs (MolReGPT), shots=22024.022.20.69336.770.8080.7170.6094.90.14976.1
GPT-3.5-turboEvaluation protocol=LLM-based Generalist Models, shots=02024.021.90.48952.130.7050.4620.3672.050.47980.2
GPT-3.5-turbo#Params.=>175B, Evaluation Protocol=zero-shot2023.101.90.48952.130.7050.4620.3672.050.47980.2
RNN#Params.=56M2023.100.50.65238.090.5910.40.3624.550.40954.2
TransformerEvaluation protocol=Single-task Specialist Models2024.0200.49957.660.480.320.21711.320.27790.6
Llama2-7BEvaluation protocol=LLM-based Generalist Models, shots=02024.0200.10484.180.2430.1190.08942.010.14863.1
Transformer#Params.=76M2023.1000.49957.660.480.320.21711.320.27790.6