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Zitao Chen

2 accepted papers

2026

MolAlign3D: Enhancing Fixed-Dimensional E(3)-Equivariant Latent Space for High-Fidelity 3D Molecular Reconstruction and Editing

ICML 2026poster

Recent advances in 3D molecular modeling have achieved high-fidelity structural synthesis, yet these models often lack an explicit and manipulable representation space. To address this, MolFLAE introduced a fixed-dimensional, E(3)-equivariant latent space, providing a novel framework for molecular e…

Cited by 0SourceScholar
2025

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

NeurIPS 2025poster

Medicinal chemists often optimize drugs considering their 3D structures and designing structurally distinct molecules that retain key features, such as shapes, pharmacophores, or chemical properties. Previous deep learning approaches address this through supervised tasks like molecule inpainting or…

Cited by 0SourceScholar