crystal structure

A Denoising Pre-training Framework for Accelerating Novel Material Discovery AAAI 2025 Open Materials Generation with Stochastic Interpolants ICML 2025 PDDFormer: Pairwise Distance Distribution Graph Transformer for Crystal Material Property Prediction IJCAI 2025 Periodic Materials Generation using Text-Guided Joint Diffusion Model ICLR 2025 SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystal Symmetry Classification Benchmark ICLR 2025 A Diffusion-Based Pre-training Framework for Crystal Property Prediction AAAI 2024 Complete and Efficient Graph Transformers for Crystal Material Property Prediction ICLR 2024 Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding ICLR 2024 FlowMM: Generating Materials with Riemannian Flow Matching ICML 2024 Generative Hierarchical Materials Search NeurIPS 2024 Learning Superconductivity from Ordered and Disordered Material Structures NeurIPS 2024 Scalable Diffusion for Materials Generation ICLR 2024 Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction ICML 2023 Unified Model for Crystalline Material Generation IJCAI 2023 Crystal Diffusion Variational Autoencoder for Periodic Material Generation ICLR 2022 Equivariant Networks for Crystal Structures NeurIPS 2022 S2SNet: A Pretrained Neural Network for Superconductivity Discovery IJCAI 2022 Deep Reasoning Networks for Unsupervised Pattern De-mixing with Constraint Reasoning ICML 2020