Paper
Towards equilibrium molecular conformation generation with GFlowNets
GFlowNets allow for sampling diverse, thermodynamically feasible molecular conformations from the Boltzmann distribution.
Authors: Alexandra Volokhova · Michał Koziarski · Alex Hernández-García · Cheng-Hao Liu · Santiago Miret · Pablo Lemos · Luca Thiede · Zichao Yan · Alán Aspuru-Guzik · Yoshua Bengio
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