Text Based De Novo Molecule Generation On

평가 지표

BLEU

Exact Match

Frechet ChemNet Distance (FCD)

Levenshtein

MACCS FTS

Morgan FTS

Parameter Count

RDK FTS

Text2Mol

Validity

평가 결과

이 벤치마크에서 각 모델의 성능 결과

모델 이름	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: Text-to-Molecule Diffusion Model with Structurally Informative Latent Space
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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