22 citations · 42 across the 10 of their papers we have counts for
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physics.chem-ph2025
-ML Ensembles for Selecting Quantum Chemistry Methods to Compute Intermolecular Interactions
Austin M. Wallace, C. David Sherrill, Giri P. Krishnan
Ab initio quantum chemical methods for accurately computing interactions between molecules have a wide range of applications but are often computationally expensive. Hence, selecti…
q-bio.BM2025★ 1 cited
Quantifying the Role of OpenFold Components in Protein Structure Prediction
Tyler L. Hayes, Giri P. Krishnan
Models such as AlphaFold2 and OpenFold have transformed protein structure prediction, yet their inner workings remain poorly understood. We present a methodology to systematically…