"molecular docking" Papers

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Diffusion Generative Modeling on Lie Group Representations

Marco Bertolini, Tuan Le, Djork-Arné Clevert

NeurIPS 2025spotlightarXiv:2502.02513
2
citations

DisCo-Diff: Enhancing Continuous Diffusion Models with Discrete Latents

Yilun Xu, Gabriele Corso, Tommi Jaakkola et al.

ICML 2024poster

Pre-Training Protein Bi-level Representation Through Span Mask Strategy On 3D Protein Chains

Jiale Zhao, Wanru Zhuang, Jia Song et al.

ICML 2024poster

Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge

Yufei Huang, Odin Zhang, Lirong Wu et al.

ICML 2024spotlight