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DOE OSTI · code-177774

SurGBSA: Learning Representations from Molecular Dynamics Simulations

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Source code implementation for "SurgGBSA: Learning Representations From Molecular Dynamics Trajectories".

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Jones, WilliamD. 2025-09-24. SurGBSA: Learning Representations from Molecular Dynamics Simulations. https://doi.org/10.11578/dc.20260318.4

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