April 29, 2024 In Unkategorisiert
Against equilibrium molecular conformation era with GFlowNets
Digital Discovery, 2024, Advance Article
DOI: 10.1039/D4DD00023D, Paper
DOI: 10.1039/D4DD00023D, Paper
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Alexandra Volokhova, Michał Koziarski, Alex Hernández-García, Cheng-Hao Liu, Santiago Miret, Pablo Lemos, Luca Thiede, Zichao Yan, Alán Aspuru-Guzik, Yoshua Bengio
GFlowNets allow for sampling diverse, thermodynamically feasible molecular conformations from the Boltzmann distribution.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry
GFlowNets allow for sampling diverse, thermodynamically feasible molecular conformations from the Boltzmann distribution.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry
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