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conftrace_

crystal structure prediction

6 papers

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Also known as

CSP

Co-occurring keywords · papers mentioning both

graph neural network (2) equivariant diffusion (2) transformer architecture (2) materials project (1) fractional coordinate (1) se(3)-invariant representation (1) inorganic material (1) stable material generation (1) energy above hull (1) noising algorithm (1)

Papers

Kinetic Langevin Diffusion for Crystalline Materials Generation ICML 2025 PDDFormer: Pairwise Distance Distribution Graph Transformer for Crystal Material Property Prediction IJCAI 2025 Rethinking the role of frames for SE(3)-invariant crystal structure modeling ICLR 2025 Equivariant Diffusion for Crystal Structure Prediction ICML 2024 Fine-Tuned Language Models Generate Stable Inorganic Materials as Text ICLR 2024 Crystal Structure Prediction by Joint Equivariant Diffusion NeurIPS 2023