5 citations · 7 across the 3 of their papers we have counts for
3 papers
RapidDock: Unlocking Proteome-scale Molecular Docking
Rafał Powalski, Bazyli Klockiewicz, Maciej Jaśkowski +6
Accelerating molecular docking -- the process of predicting how molecules bind to protein targets -- could boost small-molecule drug discovery and revolutionize medicine. Unfortuna…
Second Order Accurate Hierarchical Approximate Factorization of Sparse SPD Matrices
Bazyli Klockiewicz, Léopold Cambier, Ryan Humble +2
We describe a second-order accurate approach to sparsifying the off-diagonal blocks in the hierarchical approximate factorizations of sparse symmetric positive definite matrices. T…
Sparse Hierarchical Preconditioners Using Piecewise Smooth Approximations of Eigenvectors
Bazyli Klockiewicz, Eric Darve
When solving linear systems arising from PDE discretizations, iterative methods (such as Conjugate Gradient, GMRES, or MINRES) are often the only practical choice. To converge in a…