12 projects
pantarei
A general-purpose workflow manager
atooms
A framework for simulations of interacting particles
f2py-jit
Just-in-time Fortran extension builder for Python
atooms-pp
Post-processing tools for particle simulations
atooms-dynamics
Newtonian and stochastic dynamics backends for atooms
atooms-database
Database of interaction database for classical molecular dynamics and Monte Carlo simulations
orgnb
Convert org-mode files to jupyter notebooks
atooms-models
atooms-landscape
atooms-voronoi
Voronoi wrapper to voro++ and analysis tools
gridengine-goodies
Enhancements to the gridengine scheduler
atooms-pt
Multi-CPU / multi-GPU parallel tempering