Text Based De Novo Molecule Generation On

评估指标

BLEU

Exact Match

Frechet ChemNet Distance (FCD)

Levenshtein

MACCS FTS

Morgan FTS

Parameter Count

RDK FTS

Text2Mol

Validity

评测结果

各个模型在此基准测试上的表现结果

模型名称	BLEU	Exact Match	Frechet ChemNet Distance (FCD)	Levenshtein	MACCS FTS	Morgan FTS	Parameter Count	RDK FTS	Text2Mol	Validity	Paper Title	Repository
MolT5-Large	85.4	30.2	1.20	16.07	83.4	68.4	770000000	74.6	55.4	90.5	Translation between Molecules and Natural Language	-
GIT-Mol-caption	75.6	5.1	-	26.315	73.8	51.9	-	58.2	-	92.8	GIT-Mol: A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text	-
Text+Chem T5 base	75	21.2	0.061	27.39	87.4	69.7	220000000	76.7	-	79.2	Unifying Molecular and Textual Representations via Multi-task Language Modelling	-
MolReGPT (GPT-4-0413)	85.7	28.0	0.41	17.14	90.3	73.9	None	80.5	59.3	89.9	Empowering Molecule Discovery for Molecule-Caption Translation with Large Language Models: A ChatGPT Perspective	-
BioT5+	87.2	52.2	0.353	12.776	90.7	77.9	252000000	83.5	57.9	100	BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning	-
LDMol	92.6	53.3	0.20	6.750	97.3	93.1	-	95.0	-	94.1	LDMol: A Text-to-Molecule Diffusion Model with Structurally Informative Latent Space Surpasses AR Models	-
MolT5-small	75.5	7.9	2.49	25.988	70.3	51.7	60000000	56.8	48.2	72.1	Translation between Molecules and Natural Language	-
MolReFlect	90.3	51.0	-	11.84	92.9	81.3	-	86.0	-	97.7	MolReFlect: Towards Fine-grained In-Context Alignment between Molecules and Texts	-
BioT5	86.7	41.3	.43	15.097	88.6	73.4	252000000	80.1	57.6	100	BioT5: Enriching Cross-modal Integration in Biology with Chemical Knowledge and Natural Language Associations	-
Text+Chem T5 small	73.9	15.7	0.066	28.54	85.9	66	60000000	73.6	-	77.6	Unifying Molecular and Textual Representations via Multi-task Language Modelling	-
MolFM-Small	80.3	16.9	-	20.868	83.4	72.1	13620000	66.2	57.3	85.9	MolFM: A Multimodal Molecular Foundation Model	-
MolReGPT (GPT-3.5-turbo)	79.0	13.9	0.57	24.91	84.7	62.4	-	70.8	57.1	88.7	Empowering Molecule Discovery for Molecule-Caption Translation with Large Language Models: A ChatGPT Perspective	-
Text+Chem T5-augm small	81.5	19.1	0.06	21.78	86.4	67.2	60000000	74.4	-	95.1	Unifying Molecular and Textual Representations via Multi-task Language Modelling	-
TGM-DLM	82.6	24.2	0.77	17.003	85.4	68.8	180000000	73.9	58.1	87.1	Text-Guided Molecule Generation with Diffusion Language Model	-
MolXPT	-	21.5	0.45	-	85.9	66.7	350000000	75.7	57.8	98.3	MolXPT: Wrapping Molecules with Text for Generative Pre-training	-
MolT5-Large-HV	81.0	31.4	0.44	16.758	87.2	72.2	770000000	78.6	59.0	99.6	Translation between Molecules and Natural Language	-
MolT5-base	76.9	8.1	2.18	24.458	72.1	52.9	220000000	58.8	49.6	77.2	Translation between Molecules and Natural Language	-
MolFM-Base	82.2	21.0	-	19.445	85.4	75.8	296200000	69.7	58.3	89.2	MolFM: A Multimodal Molecular Foundation Model	-
Text+Chem T5-augm base	85.3	32.2	.05	16.87	90.1	75.7	220000000	81.6	-	94.3	Unifying Molecular and Textual Representations via Multi-task Language Modelling	-
TGM-DLM w/o corr	82.8	24.2	0.89	16.897	87.4	72.2	180000000	77.1	58.9	78.9	Text-Guided Molecule Generation with Diffusion Language Model	-

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