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2110.06197
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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
DiffM
BDL
Re-assign community
ArXiv (abs)
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HuggingFace (1 upvotes)
Papers citing
"Crystal Diffusion Variational Autoencoder for Periodic Material Generation"
50 / 155 papers shown
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08 Dec 2023
PerCNet: Periodic Complete Representation for Crystal Graphs
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Qianli Xing
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Bo Yang
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03 Dec 2023
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Yilun Du
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Andrew Spielberg
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Daniela Rus
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185
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28 Nov 2023
Scalable Diffusion for Materials Generation
International Conference on Learning Representations (ICLR), 2023
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Igor Mordatch
E. D. Cubuk
260
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18 Oct 2023
MOFDiff: Coarse-grained Diffusion for Metal-Organic Framework Design
International Conference on Learning Representations (ICLR), 2023
Xiang Fu
Jia Zhang
Andrew S. Rosen
Tommi Jaakkola
Jake A. Smith
DiffM
278
21
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16 Oct 2023
Latent Conservative Objective Models for Data-Driven Crystal Structure Prediction
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Xinyang Geng
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167
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16 Oct 2023
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219
10
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16 Oct 2023
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Alexandra Volokhova
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Divya Sharma
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Michal Koziarski
Victor Schmidt
386
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Tim Hsu
Babak Sadigh
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Fei Zhou
288
25
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237
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30 Sep 2023
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203
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12 Sep 2023
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Rishikesh Magar
Chang Xu
A. Farimani
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168
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30 Aug 2023
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Michael Pekala
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Nam Q. Le
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C. Piatko
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146
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Diffusion probabilistic models enhance variational autoencoder for crystal structure generative modeling
Scientific Reports (Sci Rep), 2023
T. Pakornchote
Natthaphon Choomphon-anomakhun
Sorrjit Arrerut
C. Atthapak
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T. Bovornratanaraks
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189
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Y. Kang
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215
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Crystal Structure Prediction by Joint Equivariant Diffusion
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Rui Jiao
Wen-bing Huang
Peijia Lin
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Pin Chen
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343
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30 Jul 2023
Towards Symmetry-Aware Generation of Periodic Materials
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Youzhi Luo
Chengkai Liu
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337
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Thiparat Chotibut
146
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22 Jun 2023
A Systematic Survey in Geometric Deep Learning for Structure-based Drug Design
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Enhong Chen
Marinka Zitnik
422
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20 Jun 2023
Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials
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Shengchao Liu
Weitao Du
Yanjing Li
Zhuoxinran Li
Zhiling Zheng
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Anima Anandkumar
C. Borgs
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Ziqiao Wang
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275
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Neural Information Processing Systems (NeurIPS), 2023
Yuanqi Du
Yingheng Wang
Yin-Hua Huang
Jianan Canal Li
Yanqiao Zhu
T. Xie
Chenru Duan
J. Gregoire
Daniel Schwalbe-Koda
202
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14 Jun 2023
CrysMMNet: Multimodal Representation for Crystal Property Prediction
Conference on Uncertainty in Artificial Intelligence (UAI), 2023
Kishalay Das
Pawan Goyal
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Niloy Ganguly
118
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296
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145
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183
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224
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In So Kweon
Choong Seon Hong
303
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Diffusing the Optimal Topology: A Generative Optimization Approach
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Giorgio Giannone
Faez Ahmed
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102
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Ewald-based Long-Range Message Passing for Molecular Graphs
International Conference on Machine Learning (ICML), 2023
Arthur Kosmala
Johannes Gasteiger
Nicholas Gao
Stephan Günnemann
314
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08 Mar 2023
Denoise Pretraining on Nonequilibrium Molecules for Accurate and Transferable Neural Potentials
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Yuyang Wang
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Zijie Li
A. Farimani
AAML
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339
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03 Mar 2023
Thermodynamic AI and the fluctuation frontier
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