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Crystal-GFN: sampling crystals with desirable properties and constraints

Crystal-GFN: sampling crystals with desirable properties and constraints

7 October 2023
Mila AI4Science
Alex Hernandez-Garcia
Alexandre Duval
Alexandra Volokhova
Yoshua Bengio
Divya Sharma
P. Carrier
Yasmine Benabed
Michal Koziarski
Victor Schmidt
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Papers citing "Crystal-GFN: sampling crystals with desirable properties and constraints"

2 / 2 papers shown
Title
Trajectory balance: Improved credit assignment in GFlowNets
Trajectory balance: Improved credit assignment in GFlowNets
Nikolay Malkin
Moksh Jain
Emmanuel Bengio
Chen Sun
Yoshua Bengio
132
113
0
31 Jan 2022
Crystal Diffusion Variational Autoencoder for Periodic Material
  Generation
Crystal Diffusion Variational Autoencoder for Periodic Material Generation
Tian Xie
Xiang Fu
O. Ganea
Regina Barzilay
Tommi Jaakkola
DiffM
BDL
175
158
0
12 Oct 2021
1