30 packages found. Page 1 of 1.

Name Version Votes Popularity? Description Maintainer
wxmacmolplt 7.6-1 8 0.00 A moder graphics program for plotting 3-D molecular structures and normal modes hseara
votca-tools 1.3-1 0 0.00 Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package intended to reduce the amount of routine work when doing systematic coarse-graining of various systems. (LIBRARY) hseara
votca-csg 1.3-1 0 0.00 Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package intended to reduce the amount of routine work when doing systematic coarse-graining of various systems. hseara
pyzo 4.2.1-1 1 0.20 Pyzo is a cross-platform Python IDE focused on interactivity and introspection, which makes it very suitable for scientific computing. hseara
python2-scripttest 1.3-1 1 0.00 A library to help you test your interactive command-line applications hseara
python2-numdifftools 0.9.14-1 1 0.04 A suite of tools written in _Python to solve automatic numerical differentiation problems in one or more variables. hseara
python2-msmbuilder 3.3.1-5 0 0.00 A python package which implements a series of statistical models for high-dimensional time-series hseara
python2-mdtraj 1.7-1 2 0.01 A modern, open library for the analysis of molecular dynamics trajectories hseara
python2-mdanalysis 0.14.0-1 3 0.00 an object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. hseara
python2-griddataformats 0.3.2-1 1 0.00 The gridDataFormats package provides classes to unify reading and writing n-dimensional datasets. One can read grid data from files, make them available as a Grid object, and allows one to write out the data again. hseara
python2-espressopp 1.9.2-1 0 0.00 ESPResSo++ is an extensible, flexible, fast and parallel simulation software for soft matter research. hseara
python2-algopy 0.5.3-1 0 0.00 A tool for Algorithmic Differentiation (AD) and Taylor polynomial approximations. hseara
python-scripttest 1.3-1 1 0.00 A library to help you test your interactive command-line applications hseara
python-pyzolib 0.3.4-1 16 0.22 The pyzolib package provides basic functionality for the Pyzo environment. hseara
python-numdifftools 0.9.14-1 1 0.04 A suite of tools written in _Python to solve automatic numerical differentiation problems in one or more variables. hseara
python-msmbuilder 3.3.1-5 0 0.00 A python package which implements a series of statistical models for high-dimensional time-series hseara
python-mdtraj 1.7-1 2 0.01 A modern, open library for the analysis of molecular dynamics trajectories hseara
python-algopy 0.5.3-1 0 0.00 A tool for Algorithmic Differentiation (AD) and Taylor polynomial approximations. hseara
plumed 2.2.3-1 2 0.01 An open source plugin for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. hseara
iep 3.7-2 26 0.00 Pronounced as 'eep'is a cross-platform Python IDE focused on interactivity and introspection, which makes it very suitable for scientific computing. Its practical design is aimed at simplicity and efficiency. hseara
g_lomepro 1.0.2-2 0 0.00 Local Membrane Property Analysis hseara
gromacs-plumed 5.1.2-1 1 0.00 GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. (Plumed patched) hseara
gromacs-charmm36 201506-1 0 0.00 CHARMM36 force field in GROMACS format. hseara
gromacs-5.0-complete-charmm36 201411-2 1 0.00 CHARMM36 force field in GROMACS format. hseara
gromacs-5.0-complete 5.0.7-3 1 0.00 A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. hseara
gromacs-4.6-complete 4.6.7-3 1 0.00 GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. hseara
gromacs-4.5-complete 4.5.7-1 1 0.00 A versatile package to perform molecular dynamics. Last stable release of 4.5.x version series. Single and Double precision; Sources; Doxygen documentation hseara
gromacs 5.1.2-1 13 0.12 A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. hseara
gausssum 3.0-1 3 0.00 A Program for getting results of Gaussian and GAMESS hseara
dssp 2.2.1-3 1 0.00 Secondary structure assignment for proteins hseara

30 packages found. Page 1 of 1.