Molecule Generation

2 papers across 2 sessions

Poster Session 3

1 paper

Thursday, December 4, 2025 · 11:00 AM → 2:00 PM

Exhibit Hall C,D,E

DMol: A Highly Efficient and Chemical Motif-Preserving Molecule Generation Platform

#1610 · Peizhi Niu, Yu-Hsiang Wang, Vishal Rana, Chetan Rupakheti, Abhishek Pandey, Olgica Milenkovic

Poster Session 4

1 paper

Thursday, December 4, 2025 · 4:30 PM → 7:30 PM

Exhibit Hall C,D,E

Prior-Guided Flow Matching for Target-Aware Molecule Design with Learnable Atom Number

#1703 · Jingyuan Zhou, Hao Qian, Shikui Tu, Lei Xu

We propose a 3D all-atom flow matching model with prior interaction guidance and a learnable atom number predictor for target-aware molecule generation.