"molecular generation" Papers

10 papers found

Filters:molecular generationClear all

Conference

AAAI 2025 (3,028)COLM 2025 (418)CVPR 2025 (2,873)ICCV 2025 (2,701)ICLR 2025 (3,827)ICML 2025 (3,340)ISMAR 2025 (229)NEURIPS 2025 (5,858)AAAI 2024 (2,289)CVPR 2024 (2,716)ECCV 2024 (2,387)ICLR 2024 (2,297)ICML 2024 (2,635)

Paper Type

poster (24,624)paper (8,558)oral (1,594)spotlight (1,421)highlight (975)

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

Bowen Gao, Yanwen Huang, Yiqiao Liu et al.

NEURIPS 2025

DeFoG: Discrete Flow Matching for Graph Generation

Yiming Qin, Manuel Madeira, Dorina Thanou et al.

ICML 2025oralarXiv:2410.04263
35
citations

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

KLASS: KL-Guided Fast Inference in Masked Diffusion Models

Seo Hyun Kim, Sunwoo Hong, Hojung Jung et al.

NEURIPS 2025spotlightarXiv:2511.05664
6
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