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Crystal Diffusion Variational Autoencoder for Periodic Material
  Generation
v1v2v3 (latest)

Crystal Diffusion Variational Autoencoder for Periodic Material Generation

International Conference on Learning Representations (ICLR), 2021
12 October 2021
Jia Zhang
Xiang Fu
O. Ganea
Regina Barzilay
Tommi Jaakkola
    DiffMBDL
ArXiv (abs)PDFHTMLHuggingFace (1 upvotes)

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

5 / 155 papers shown
Crystal Twins: Self-supervised Learning for Crystalline Material
  Property Prediction
Crystal Twins: Self-supervised Learning for Crystalline Material Property Predictionnpj Computational Materials (npj Comput. Mater.), 2022
Rishikesh Magar
Yuyang Wang
Amir Barati Farimani
165
73
0
04 May 2022
SELFIES and the future of molecular string representations
SELFIES and the future of molecular string representationsPatterns (Patterns), 2022
Mario Krenn
Qianxiang Ai
Senja Barthel
Nessa Carson
Angelo Frei
...
Andrew Wang
Andrew D. White
Adamo Young
Rose Yu
A. Aspuru‐Guzik
286
213
0
31 Mar 2022
Physics Guided Deep Learning for Generative Design of Crystal Materials
  with Symmetry Constraints
Physics Guided Deep Learning for Generative Design of Crystal Materials with Symmetry Constraintsnpj Computational Materials (npj Comput. Mater.), 2022
Yong Zhao
Edirisuriya M Dilanga Siriwardane
Zhenyao Wu
Nihang Fu
Mohammed Al-Fahdi
Ming Hu
Jianjun Hu
AI4CE
216
104
0
27 Mar 2022
Spin-Dependent Graph Neural Network Potential for Magnetic Materials
Spin-Dependent Graph Neural Network Potential for Magnetic MaterialsPhysical review B (PRB), 2022
Hongyu Yu
Yang Zhong
Liangliang Hong
Changsong Xu
W. Ren
X. Gong
Hongjun Xiang
247
20
0
06 Mar 2022
Multiresolution Equivariant Graph Variational Autoencoder
Multiresolution Equivariant Graph Variational Autoencoder
Truong-Son Hy
Risi Kondor
245
21
0
02 Jun 2021
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