"3d molecule 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

Accelerating 3D Molecule Generative Models with Trajectory Diagnosis

Zhilong Zhang, Yuxuan Song, Yichun Wang et al.

NEURIPS 2025

Manipulating 3D Molecules in a Fixed-Dimensional E(3)-Equivariant Latent Space

Zitao Chen, Yinjun Jia, Zitong Tian et al.

NEURIPS 2025arXiv:2506.00771
1
citations

Straight-Line Diffusion Model for Efficient 3D Molecular Generation

Yuyan Ni, Shikun Feng, Haohan Chi et al.

NEURIPS 2025arXiv:2503.02918
7
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

Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation

Zhilin Huang, Ling Yang, Xiangxin Zhou et al.

ICML 2024