Poster "3d molecular generation" Papers

2 papers found

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ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design

Keir Adams, Kento Abeywardane, Jenna Fromer et al.

ICLR 2025arXiv:2411.04130
8
citations

Structure-based drug design by denoising voxel grids

Pedro O. Pinheiro, Arian Jamasb, Omar Mahmood et al.

ICML 2024arXiv:2405.03961
23
citations