Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
Top 9.7% dependent packages on spack.io
spack.io : plumed
PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular focus on biological problems, using state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes.
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Source
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purl: pkg:spack/plumed
License: Other
Latest release: about 2 years ago
First release: about 2 years ago
Dependent packages: 5
Last synced: 16 days ago
gromacs-chain-coordinate 2021.5-0.3
A modification of GROMACS that implements the "chain coordinate", a reaction coordinate for pore...4 versions - Latest release: 4 months ago - 4 maintainers
gromacs-swaxs 2021.5-0.5
Modified Gromacs for small-angle scattering calculations (SAXS/WAXS/SANS)20 versions - Latest release: 4 months ago - 4 maintainers
lammps 20170901
LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator.46 versions - Latest release: about 2 years ago - 2 dependent packages - 1 maintainer
gromacs 5.1.5
GROMACS is a molecular dynamics package primarily designed for simulations of proteins, lipids an...37 versions - Latest release: about 2 years ago - 4 dependent packages - 3 maintainers
cp2k master
CP2K is a quantum chemistry and solid state physics software package that can perform atomistic s...9 versions - Latest release: about 2 years ago - 2 dependent packages - 2 maintainers