dssp 
3.0.03 
3 
0.01 
Secondary structure assignment for proteins 
hseara

gausssum 
3.01 
3 
0.00 
A Program for getting results of Gaussian and GAMESS 
hseara

gromacs 
20181 
16 
0.01 
A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. 
hseara

gromacs2016complete 
2016.51 
0 
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

gromacs4.6complete 
4.6.75 
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

gromacs5.0complete 
5.0.76 
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

gromacs5.0completecharmm36 
2014112 
1 
0.00 
CHARMM36 force field in GROMACS format. 
hseara

gromacs5.1complete 
5.1.51 
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

gromacs5.1completecharmm36 
2015061 
1 
0.00 
CHARMM36 force field in GROMACS format. 
hseara

gromacscharmm36 
2017071 
1 
0.00 
CHARMM36 force field in GROMACS format. 
hseara

gromacsplumed 
2016.42 
2 
0.43 
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

g_lomepro 
1.0.22 
0 
0.00 
Local Membrane Property Analysis 
hseara

openmm 
7.1.11 
1 
0.00 
Toolkit for molecular simulation using high performance GPU code 
hseara

plumed 
2.4.01 
3 
0.43 
An open source plugin for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. 
hseara

pythonalgopy 
0.5.31 
0 
0.00 
A tool for Algorithmic Differentiation (AD) and Taylor polynomial approximations. 
hseara

pythongriddataformats 
0.3.31 
1 
0.01 
The gridDataFormats package provides classes to unify reading and writing ndimensional 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

pythonmdanalysis 
0.17.01 
0 
0.00 
An objectoriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. 
hseara

pythonmdtraj 
1.9.01 
2 
0.00 
A modern, open library for the analysis of molecular dynamics trajectories 
hseara

pythonmsmbuilder 
3.8.01 
0 
0.00 
A python package which implements a series of statistical models for highdimensional timeseries 
hseara

pythonpyzolib 
0.3.41 
19 
0.11 
The pyzolib package provides basic functionality for the Pyzo environment. 
hseara

python2algopy 
0.5.31 
0 
0.00 
A tool for Algorithmic Differentiation (AD) and Taylor polynomial approximations. 
hseara

python2espressopp 
1.9.4.11 
0 
0.00 
ESPResSo++ is an extensible, flexible, fast and parallel simulation software for soft matter research. 
hseara

python2griddataformats 
0.3.31 
1 
0.00 
The gridDataFormats package provides classes to unify reading and writing ndimensional 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

python2mdanalysis 
0.17.01 
3 
0.00 
An objectoriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. 
hseara

python2mdtraj 
1.9.01 
2 
0.00 
A modern, open library for the analysis of molecular dynamics trajectories 
hseara

python2msmbuilder 
3.8.01 
0 
0.00 
A python package which implements a series of statistical models for highdimensional timeseries 
hseara

pyzo 
4.4.21 
31 
0.11 
Pyzo is a crossplatform Python IDE focused on interactivity and introspection, which makes it very suitable for scientific computing. 
hseara

votcacsg 
1.31 
0 
0.00 
Versatile Objectoriented Toolkit for Coarsegraining Applications (VOTCA) is a package intended to reduce the amount of routine work when doing systematic coarsegraining of various systems. 
hseara

votcatools 
1.31 
0 
0.00 
Versatile Objectoriented Toolkit for Coarsegraining Applications (VOTCA) is a package intended to reduce the amount of routine work when doing systematic coarsegraining of various systems. (LIBRARY) 
hseara

wxmacmolplt 
7.71 
8 
0.00 
An opensource gui for preparing, submitting and visualizing input and output for the GAMESS quantum chemistry package. 
hseara

xdrawchem 
1.10.21 
1 
0.84 
XDrawChem is a twodimensional molecule drawing program for Unix operating systems. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft). 
hseara
