Project Maintainer/Seller Description
Extreme scale applications
Alya Barcelona Supercomputing Center Simulation code for multi-physics problems
Chaste University of Oxford Electrophysiology solver using FEM
HemeLB University College London Patient specific simulations of bloodflow
Hemocell University of Amsterdam Simulates the flow of dense cellular suspensions
Gromacs(1) Molecular dynamics simulations of biological molecules
Palabos University of Geneva Fluid flow solver based on lattice Boltzmann method
Distributed / intermediate scale parallelism
AmbertTools Suite of molecular dynamics simulation, model building and analysis codes focussed on biological molecules.
GAMESS US Quantum Mechanical Fragment Molecular Orbital (FMO) based Fragment Expansion. FMO based Virtual Screen.
Gromacs(2) Standard Molecular Dynamics (MD) to calculate Residence Times and Binding affinities.
NAMD 2 Molecular dynamics simulations of biological molecules.
Linear or complex workflows
Bone DVC A workflow developed to compute the displacement field between two stacks of microCT images of a bone specimen under compression.