"molecular generation" Papers

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Energy Loss Functions for Physical Systems

Oumar Kaba, Kusha Sareen, Daniel Levy et al.

NeurIPS 2025posterarXiv:2511.02087

Graph Diffusion that can Insert and Delete

Matteo Ninniri, Marco Podda, Davide Bacciu

NeurIPS 2025posterarXiv:2506.15725

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

Jingyuan Zhou, Hao Qian, Shikui Tu et al.

NeurIPS 2025posterarXiv:2509.01486

SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints

Miruna Cretu, Charles Harris, Ilia Igashov et al.

ICLR 2025posterarXiv:2405.01155
18
citations

Data-Efficient Molecular Generation with Hierarchical Textual Inversion

Seojin Kim, Jaehyun Nam, Sihyun Yu et al.

ICML 2024poster