published Published 8 days ago
VibIR-Parallel-Compute: Enhancing Vibration and Infrared Analysis in High-Performance Computing Environments
Python
published Published 24 days ago
Caffeine: A parallel runtime library for supporting modern Fortran compilers
Fortran C
published Published 10 months ago
PAPRECA: A parallel hybrid off-lattice kinetic Monte Carlo/molecular dynamics simulator
C++ C
published Published 11 months ago
HealpixMPI.jl: an MPI-parallel implementation of the Healpix tessellation scheme in Julia
Julia
published Published over 1 year ago
GMP-Featurizer: A parallelized Python package for efficiently computing the Gaussian Multipole features of atomic systems
Python C++ C
published Published almost 3 years ago
pyABC: Efficient and robust easy-to-use approximate Bayesian computation
Python Mako
published Published almost 3 years ago
GridapDistributed: a massively parallel finite element toolbox in Julia
Julia
published Published almost 4 years ago