notesum.ai

Published at December 5

LMDM:Latent Molecular Diffusion Model For 3D Molecule Generation

cs.LG

Released Date: December 5, 2024

Authors: Xiang Chen¹

Aff.: ¹University

Arxiv: http://arxiv.org/pdf/2412.04242v1

Refer to caption

	QM9				GEOM
	Validity $(\%)$ $\uparrow$	Uniqueness $(\%)$ $\uparrow$	Novelty $(\%)$ $\uparrow$	Stability $(\%)$ $\uparrow$	Validity $(\%)$ $\uparrow$	Uniqueness $(\%)$ $\uparrow$	Novelty $(\%)$ $\uparrow$	Stability $(\%)$ $\uparrow$
G-Schnet	85.9	80.9	57.6	85.6	-	-	-	-
EDM	91.7	90.5	59.9	91.1	68.6	68.6	68.6	13.7
GeoLDM	93.4	98.7	-	88.9	99.3	-	-	-
LMDM-KL	96.2	92.1	89.2	87.5	99.2	99.1	99.2	52.4
LMDM	98.8	95.2	92.1	90.8	99.5	99.2	99.1	63.4