Poster "molecular generation" Papers

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Paper Type

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CIDD: Collaborative Intelligence for Structure-Based Drug Design Empowered by LLMs

Bowen Gao, Yanwen Huang, Yiqiao Liu et al.

NEURIPS 2025

Energy Loss Functions for Physical Systems

Oumar Kaba, Kusha Sareen, Daniel Levy et al.

NEURIPS 2025arXiv:2511.02087

Graph Diffusion that can Insert and Delete

Matteo Ninniri, Marco Podda, Davide Bacciu

NEURIPS 2025arXiv:2506.15725
1
citations

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

Jingyuan Zhou, Hao Qian, Shikui Tu et al.

NEURIPS 2025arXiv:2509.01486
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

SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints

Miruna Cretu, Charles Harris, Ilia Igashov et al.

ICLR 2025arXiv:2405.01155
20
citations

UniGEM: A Unified Approach to Generation and Property Prediction for Molecules

Shikun Feng, Yuyan Ni, Lu yan et al.

ICLR 2025arXiv:2410.10516
22
citations

Data-Efficient Molecular Generation with Hierarchical Textual Inversion

Seojin Kim, Jaehyun Nam, Sihyun Yu et al.

ICML 2024arXiv:2405.02845
6
citations