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End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction
8 January 2024
Qingsi Lai
Lin Yao
Zhifeng Gao
Siyuan Liu
Hongshuai Wang
Shuqi Lu
Di He
Liwei Wang
Cheng Wang
Guolin Ke
Guolin Ke
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Papers citing
"End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction"
5 / 5 papers shown
Title
Uni-3DAR: Unified 3D Generation and Understanding via Autoregression on Compressed Spatial Tokens
Shuqi Lu
Haowei Lin
Lin Yao
Zhifeng Gao
Xiaohong Ji
W. Elwasif
Linfeng Zhang
Guolin Ke
41
0
0
20 Mar 2025
deCIFer: Crystal Structure Prediction from Powder Diffraction Data using Autoregressive Language Models
Frederik L. Johansen
Ulrik Friis-Jensen
Erik B. Dam
Kirsten M. Ø. Jensen
Rocío Mercado
Raghavendra Selvan
75
0
0
04 Feb 2025
Space Group Informed Transformer for Crystalline Materials Generation
Zhendong Cao
Xiaoshan Luo
Jianwei Lv
Lei Wang
AI4CE
16
16
0
23 Mar 2024
Riemannian Score-Based Generative Modelling
Valentin De Bortoli
Emile Mathieu
M. Hutchinson
James Thornton
Yee Whye Teh
Arnaud Doucet
DiffM
206
163
0
06 Feb 2022
Crystal Diffusion Variational Autoencoder for Periodic Material Generation
Tian Xie
Xiang Fu
O. Ganea
Regina Barzilay
Tommi Jaakkola
DiffM
BDL
193
224
0
12 Oct 2021
1