ALPHASURF: ON-THE-FLY SURFACE COMPUTATIONS FOR PROTEIN REPRESENTATION LEARNING
Victor Gertner ⋅ Frédéric Cazals ⋅ Vincent Mallet
Abstract
Several protein surfaces have been proposed for visualization purposes, and more. Recently, machine learning approaches incorporating surfaces as a biomolecular representation have emerged with strong performances, at the cost of increased computations. In this paper, we argue that this burden can be avoided. We propose a method to compute surfaces on-the-fly with no overhead and no performance loss.
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