2 citations · 3 across the 3 of their papers we have counts for
3 papers
Cell Morphology-Guided Small Molecule Generation with GFlowNets
Stephen Zhewen Lu, Ziqing Lu, Ehsan Hajiramezanali +4
High-content phenotypic screening, including high-content imaging (HCI), has gained popularity in the last few years for its ability to characterize novel therapeutics without prio…
Towards DNA-Encoded Library Generation with GFlowNets
Michał Koziarski, Mohammed Abukalam, Vedant Shah +7
DNA-encoded libraries (DELs) are a powerful approach for rapidly screening large numbers of diverse compounds. One of the key challenges in using DELs is library design, which invo…
Towards equilibrium molecular conformation generation with GFlowNets
Alexandra Volokhova, Michał Koziarski, Alex Hernández-García +7
Sampling diverse, thermodynamically feasible molecular conformations plays a crucial role in predicting properties of a molecule. In this paper we propose to use GFlowNet for sampl…