conftrace_

conformation generation

2 papers

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Co-occurring keywords · papers mentioning both

molecular conformation (2) drug discovery (2) subgraph structure (1) molecular representation learning (1) denoising diffusion probabilistic model (1) molecular conformation generation (1) graph neural network (1) 3d molecular structure (1) conformational sampling (1) 3d geometric structure (1)

Papers

SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning NeurIPS 2024 Regularized Molecular Conformation Fields NeurIPS 2022