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molecular conformation generation

5 papers

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Co-occurring keywords · papers mentioning both

graph neural network (2) diffusion model (2) geometric deep learning (2) gradient field (1) 3d structure generation (1) local feature extraction (1) 3d molecular generation (1) molecular conformation (1) diffusion-based generative model (1) geometric diffusion (1)

Papers

Enhancing Generalizability in Molecular Conformation Generation with METRIZATION-Informed Geometric Diffusion Pretraining AAAI 2025 SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning NeurIPS 2024 Von Mises Mixture Distributions for Molecular Conformation Generation ICML 2023 SE(3) Equivariant Graph Neural Networks with Complete Local Frames ICML 2022 Learning Gradient Fields for Molecular Conformation Generation ICML 2021