Pinned Repositories
A4MD
The project's harnessed knowledge of molecular structures' transformations at runtime can be used to steer simulations to more promising areas of the simulation space, identify the data that should be written to congested parallel file systems, and index generated data for retrieval and post-simulation analysis.
analytics4md.github.io
Catch2
A modern, C++-native, header-only, test framework for unit-tests, TDD and BDD - using C++11, C++14, C++17 and later (or C++03 on the Catch1.x branch)
dspaces-spack
A Spack repo for DataSpaces 2.x
insitu-ensemble-simulator
mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
plumed2
Development version of plumed 2
Analytics4MD's Repositories
Analytics4MD/analytics4md.github.io
Analytics4MD/A4MD
The project's harnessed knowledge of molecular structures' transformations at runtime can be used to steer simulations to more promising areas of the simulation space, identify the data that should be written to congested parallel file systems, and index generated data for retrieval and post-simulation analysis.
Analytics4MD/Catch2
A modern, C++-native, header-only, test framework for unit-tests, TDD and BDD - using C++11, C++14, C++17 and later (or C++03 on the Catch1.x branch)
Analytics4MD/dspaces-spack
A Spack repo for DataSpaces 2.x
Analytics4MD/insitu-ensemble-simulator
Analytics4MD/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
Analytics4MD/plumed2
Development version of plumed 2