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Crystal Diffusion Variational Autoencoder for Periodic Material
  Generation

Crystal Diffusion Variational Autoencoder for Periodic Material Generation

12 October 2021
Tian Xie
Xiang Fu
O. Ganea
Regina Barzilay
Tommi Jaakkola
    DiffM
    BDL
ArXivPDFHTML

Papers citing "Crystal Diffusion Variational Autoencoder for Periodic Material Generation"

7 / 7 papers shown
Title
MatterChat: A Multi-Modal LLM for Material Science
MatterChat: A Multi-Modal LLM for Material Science
Yingheng Tang
Wenbin Xu
Jie Cao
Jianzhu Ma
Weilu Gao
Steve Farrell
Benjamin Erichson
Michael W. Mahoney
Andy Nonaka
67
3
0
18 Feb 2025
Inverse design of 3d molecular structures with conditional generative
  neural networks
Inverse design of 3d molecular structures with conditional generative neural networks
Niklas W. A. Gebauer
M. Gastegger
Stefaan S. P. Hessmann
Klaus-Robert Muller
Kristof T. Schütt
AI4CE
142
125
0
10 Sep 2021
Crystal structure prediction of materials with high symmetry using
  differential evolution
Crystal structure prediction of materials with high symmetry using differential evolution
Wenhui Yang
Edirisuriya M Dilanga Siriwardane
Rongzhi Dong
Yuxin Li
Jianjun Hu
139
12
0
20 Apr 2021
Diffusion Probabilistic Models for 3D Point Cloud Generation
Diffusion Probabilistic Models for 3D Point Cloud Generation
Shitong Luo
Wei Hu
3DPC
132
566
0
02 Mar 2021
GraphDF: A Discrete Flow Model for Molecular Graph Generation
GraphDF: A Discrete Flow Model for Molecular Graph Generation
Youzhi Luo
Keqiang Yan
Shuiwang Ji
DRL
142
152
0
01 Feb 2021
The Open Catalyst 2020 (OC20) Dataset and Community Challenges
The Open Catalyst 2020 (OC20) Dataset and Community Challenges
L. Chanussot
Abhishek Das
Siddharth Goyal
Thibaut Lavril
Muhammed Shuaibi
...
Brandon M. Wood
Junwoong Yoon
Devi Parikh
C. L. Zitnick
Zachary W. Ulissi
174
370
0
20 Oct 2020
Junction Tree Variational Autoencoder for Molecular Graph Generation
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
187
1,205
0
12 Feb 2018
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