PyGBe: Python on the surface, GPUs at the heart. BEM solver for Electrostatics of Biomolecules
Poster presented at the GPU Technology Conference, March 2013, San Jose, CA.
It presents the PyGBe code (pronounced 'pig-bee'), which solves the linearized Poisson-Boltzmann equation using a boundary element method, BEM. The underlying dense systems are solved using a Krylov-subspace method, accelerated with... Continue »