@misc{indiciae28190e3242af, title = {SurGBSA: Learning Representations from Molecular Dynamics Simulations}, author = {Jones, WilliamD}, year = {2025}, doi = {10.11578/dc.20260318.4}, url = {https://www.osti.gov/biblio/code-177774}, note = {Source identifier: code-177774} }