"molecular conformation generation" Papers

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Accelerating 3D Molecule Generation via Jointly Geometric Optimal Transport

Haokai Hong, Wanyu LIN, KC Tan

ICLR 2025arXiv:2405.15252
7
citations

Rao-Blackwell Gradient Estimators for Equivariant Denoising Diffusion

Vinh Tong, Trung-Dung Hoang, Anji Liu et al.

NEURIPS 2025arXiv:2502.09890
2
citations

Geometric-Facilitated Denoising Diffusion Model for 3D Molecule Generation

6428 Can Xu, Haosen Wang, Weigang Wang et al.

AAAI 2024paperarXiv:2401.02683
18
citations

Weisfeiler Leman for Euclidean Equivariant Machine Learning

Snir Hordan, Tal Amir, Nadav Dym

ICML 2024arXiv:2402.02484
10
citations