Text-guided molecule generation on ChEBI-20 (test)

100MACCS FTS SimilarityGround Truth

Evaluation Results

Method
Ground Truth2024.02	100	100	100	0	100	100	0	60.9	100
Ground Truth2022.04	100	100	100	0	100	100	0	60.9	100
LDMol2024.05	97.3	92.6	53	6.75	95	93.1	0.2	—	94.1
bioT5+2024.05	90.7	87.2	52.2	12.776	83.5	77.9	0.35	—	100
MolReGPT2023.06	90.3	85.7	28	17.14	80.5	73.9	0.41	59.3	89.9
bioT52024.05	88.6	86.7	41.3	15.097	80.1	73.4	0.43	—	100
PEIT-LLM-LLaMa3.12024.12	87.5	83.6	—	18.03	77.6	66.1	—	—	97
TGM-DLM2024.02	87.4	82.8	24.2	16.897	77.1	72.2	0.89	58.9	78.9
MolXPT2023.05	85.9	—	21.5	—	75.7	66.7	0.45	57.8	98.3
TGM-DLM2024.02	85.4	82.6	24.2	17.003	73.9	68.8	0.77	58.1	87.1
TGM-DLM2024.05	85.4	82.6	24.2	17.003	73.9	68.8	0.77	—	87.1
MolReGPT2023.06	84.7	79	13.9	24.91	70.8	62.4	0.57	57.1	88.7
MolReGPT2024.12	84.7	79	—	24.91	70.8	62.4	—	—	88.7
MolT52022.04	83.4	85.4	31.1	16.071	74.6	68.4	1.2	55.4	90.5
MolT5-large2023.05	83.4	—	31.1	—	74.6	68.4	1.2	55.4	90.5
MolT5-large2023.06	83.4	85.4	31.1	16.071	74.6	68.4	1.2	55.4	90.5
MolT5large2024.05	83.4	85.4	31.1	16.071	74.6	68.4	1.2	—	90.5
PEIT-LLM-Qwen2.52024.12	83.2	81	—	21.133	73.5	61.9	—	—	95
T52022.04	82.3	85.4	27.9	16.721	73.1	67	1.22	55.2	90.2
T5-large2023.06	82.3	85.4	27.9	16.721	73.1	67	1.22	55.2	90.2
T5large2024.05	82.3	85.4	27.9	16.721	73.1	67	1.22	—	90.2
MolReGPT2023.06	80.8	69.3	2.2	36.77	71.7	60.9	4.9	14.9	76.1
MolXPT2024.05	75.7	85.9	45	—	66.7	21.5	—	—	98.3
GIT-Mol2024.05	73.8	75.6	5.1	26.315	58.2	51.9	—	—	92.8
T5-Base2024.02	73.1	76.2	6.9	24.95	60.5	54.5	2.48	49.9	66
T52022.04	73.1	76.2	6.9	24.95	60.5	54.5	2.48	49.9	66
T5-base2023.06	73.1	76.2	6.9	24.95	60.5	54.5	2.48	49.9	66
T5base2024.05	73.1	76.5	6.9	24.95	60.5	54.5	2.48	—	66
MolT5-Base2024.02	72.1	76.9	8.1	24.458	58.8	52.9	2.18	49.6	77.2
MolT52022.04	72.1	76.9	8.1	24.458	58.8	52.9	2.18	49.6	77.2
MolT5-medium2023.05	72.1	—	8.1	—	58.8	52.9	2.18	49.6	77.2
MolT5-base2023.06	72.1	76.9	8.1	24.458	58.8	52.9	2.18	49.6	77.2
MolT5base2024.05	72.1	76.9	8.1	24.458	58.8	52.9	2.18	—	77.2
GPT-3.5-turbo2023.06	70.5	48.9	1.9	52.13	46.2	36.7	2.05	47.9	80.2
GPT-3.5-turbo2024.12	70.5	48.9	—	52.13	46.2	36.7	—	—	80.2
T52022.04	70.4	74.1	6.4	27.703	57.8	52.5	2.89	47.9	60.8
MolT52022.04	70.3	75.5	7.9	25.988	56.8	51.7	2.49	48.2	72.1
MolT5-small2023.05	70.3	—	7.9	—	56.8	51.7	2.49	48.2	72.1
RNN2022.04	59.1	65.2	0.5	38.09	40	36.2	4.55	40.9	54.2
Transformer2024.02	48	49.9	0	57.66	32	21.7	11.32	27.7	90.6
Transformer2022.04	48	49.9	0	57.66	32	21.7	11.32	27.7	90.6
Transformer2023.06	48	49.9	0	57.66	32	21.7	11.32	27.7	90.6
Transformer2024.05	48	49.9	0	57.66	32	21.7	11.32	—	90.6
Mol-Instructions2024.12	41.2	34.5	—	41.367	23.1	14.7	—	—	100
LLaMa3.12024.12	41.1	27	—	43.183	24.8	13.8	—	—	36.8
Qwen2.52024.12	40.3	21.7	—	50.55	27.6	11	—	—	24.5
LLaMa32024.12	37.2	26.1	—	45.788	21.3	12.7	—	—	33
Llama-2-7B2023.06	24.3	10.4	0	84.18	11.9	8.9	42.01	14.8	63.1