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Penglei Wang

3 accepted papers

2026

EvoEGF-Mol: Evolving Exponential Geodesic Flow for Structure-based Drug Design

ICML 2026poster

Structure-Based Drug Design (SBDD) aims to discover bioactive ligands. Conventional approaches construct probability paths separately in Euclidean and probabilistic spaces for continuous atomic coordinates and discrete chemical categories, leading to a mismatch with the underlying statistical manifo…

Cited by 0SourceScholar
2026

FLAG: Foundation model representation with Latent diffusion Alignment via Graph for spatial gene expression prediction

ICML 2026poster

Predicting spatial gene expression from routine H\&E makes high-resolution molecular profiling accessible at scale, especially for large retrospective cohorts. However, current models mostly treat gene expression as a series of pointwise tasks. While effective for numerical fitting, this approach ov…

Cited by 0SourceScholar
2026

Structure-based RNA Design by Step-wise Optimization of Latent Diffusion Model

AAAI 2026technical

RNA inverse folding, designing sequences to form specific 3D structures, is critical for therapeutics, gene regulation, and synthetic biology. Current methods, focused on sequence recovery, struggle to address structural objectives like secondary structure consistency (SS), minimum free energy (MFE)

Cited by 0SourcePDFScholar