Atomic structure generation from reconstructing structural fingerprints

Atomic structure generation from reconstructing structural fingerprints

27 July 2022

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Papers citing "Atomic structure generation from reconstructing structural fingerprints"

8 / 8 papers shown

Title
Normalizing flows for atomic solids Peter Wirnsberger George Papamakarios Borja Ibarz S. Racanière Andy Ballard Alexander Pritzel Charles Blundell 75 41 0 16 Nov 2021
Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie Xiang Fu O. Ganea Regina Barzilay Tommi Jaakkola DiffM BDL 264 251 0 12 Oct 2021
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 246 177 0 10 Sep 2021
Equivariant Flows: Exact Likelihood Generative Learning for Symmetric Densities Jonas Köhler Leon Klein Frank Noé DRL 123 279 0 03 Jun 2020
An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties Zekun Ren S. Tian Juhwan Noh Felipe Oviedo G. Xing ... Qianxiao Li Senthilnath Jayavelu K. Hippalgaonkar Yousung Jung Tonio Buonassisi AI4CE 85 140 0 15 May 2020
Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures Jordan Hoffmann Louis Maestrati Yoshihide Sawada Jian Tang Jean Michel D. Sellier Yoshua Bengio DiffM 3DV 91 67 0 03 Sep 2019
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules Niklas W. A. Gebauer M. Gastegger Kristof T. Schütt 148 211 0 02 Jun 2019
Automatic chemical design using a data-driven continuous representation of molecules Rafael Gómez-Bombarelli Jennifer N. Wei David Duvenaud José Miguel Hernández-Lobato Benjamín Sánchez-Lengeling Dennis Sheberla J. Aguilera-Iparraguirre Timothy D. Hirzel Ryan P. Adams Alán Aspuru-Guzik 3DV 180 2,945 0 07 Oct 2016

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