fast3

Kim, Hyojin [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]; Ranganath, Aditya [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]; Noh, Junhyug [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]

doi:10.11578/dc.20250911.1

DOE OSTI · code-163525

fast3

Kim, Hyojin [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]·Ranganath, Aditya [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]·Noh, Junhyug [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]

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Abstract

Code to train neural network models for binding affinity prediction

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Kim, Hyojin [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)], Ranganath, Aditya [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)], Noh, Junhyug [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)]. 2025-05-07. fast3. https://doi.org/10.11578/dc.20250911.1

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