Software	Availability	OS	Comments
Bioinformatics
mrbayes	Discovery	Linux	Bayesian Inference of phylogeny
msbayes	Discovery	Linux	Complex and flexible comparative phylogeographic inference
Chemistry
autodock	Discovery	Linux	Docking tools, Chemistry
Avogadro	Discovery	Linux	Advanced molecular editor, Computational Chemistry
Babel	Discovery	Linux	Chemical toolbox, required by Avogadro
CSDS	Andes, Polaris	Linux	Cambridge Structural Database and tools
Gaussian	Andes, Discovery	Linux	Computational Chemistry. Group license.
Jaguar	Discovery	Linux	Ab initio electronic structure package
namd	Discovery	Linux	Parallel Molecular Dynamics code for large biomolecular systems
nwchem	Andes, Discovery	Linux	Electronic structure and molecular dynamics calculations
Qchem	Discovery	Linux	Electronic Structure calculations
Mathematics
Maple	Andes, Polaris, Discovery	Linux	Mathematical and analytical software
Mathematica	Andes, Polaris, Discovery	Linux, Windows	Mathematical and analytical software
Matlab	Andes, Polaris, Discovery	Linux, Windows, Mac	Mathematical and analytical software
Statistics
R	Andes, Polaris, Discovery	Linux	Statistics, data mining
R-mpi	Discovery	Linux	Statistics, data mining
SAS	Andes, Polaris, Desktop	Linux, Windows	Statistical Analysis software
SPSS	KeyServed	Windows, Mac	Statistical analysis. KeyServed concurrent licenses
Stata	Andes, KeyServed	Linux, Windows, Mac	Statistical analysis. KeyServed concurrent licenses
Data Visualization and Graphics
ecce	Polaris, Discovery	Linux	Computational Chemistry graphical interface to NWChem and Gaussian
gabedit	Discovery	Linux	Graphical user interface to Computational Chemistry
visit	Andes, Polaris, Discovery	Linux	Data analysis and visualization
paraview	Andes,Polaris,Discovery	Linux	Data analysis and visualization
itk	Discovery	Linux	Insight Toolkit Image Processing
idl	Andes, Polaris, Discovery	Linux	Data analysis and Visualization
mgltools	Discovery	Linux	Visualization and analysis of molecular structures
vmd	Discovery	Mac, Linux, Windows	Visual Molecular Dynamics
Compilers
gfortran	Andes, Polaris, Discovery	Linux	GNU Fortran Compilers
gcc	Andes, Polaris, Discovery	Linux	GNU C compilers
Intel Compilers	Andes, Polaris, Discovery	Linux	Fortran, C, C++ compilers
PGI Compilers	Andes, Polaris, Discovery	Linux	Fortran, C, C++ compilers
Math and Scientific Libraries
acml	Discovery	Linux	AMD core libraries
Eigen2	Discovery	Linux	C++ library for linear algebra, required by Avogadro
fftw	Discovery	Linux	FFT Libraries
fftw-mpi	Discovery	Linux	FFT Libraries, Infiniband built
HDF	Discovery	Linux	Libraries for data management
HDF5	Discovery	Linux	Libraries for data management
HDF5-par	Discovery	Linux	Libraries for data management, Infiniband built
MKL:	Andes, Polaris, Discovery	Linux	Intel Scientific Libraries
MPICH	Andes, Discovery	Linux	Message passing Libraries for parallel computing, built for gcc, Intel and PGI
MPICH2	Andes,Polaris, Discovery	Linux	Message passing Libraries for parallel computing, built for gcc, Intel and PGI
mumps	Discovery	Linux	large sparse matrix solver
mvapich	Discovery	Linux	Message passing Libraries for Infiniband, built for gcc, Intel and PGI
netcdf	Andes, Polaris	Linux	Software libraries for creation, access and sharing array oriented data
scalapack	Discovery	Linux	High performance linear algebra Library
Miscellaneous
ESRI/GIS	Network License	Windows	Remote sensing/GIS
mplayer	Discovery	Linux	Movie player for Linux
ompP	Discovery	Linux	openMP profiler
Qt4	Discovery	Linux	Croos platform development tool. Required by Avogadro
subversion	Andes, Polaris, Discovery	Linux	Version control
TotalView	Discovery, Andes,Polaris	Linux	Code debugger
Xwin32	Concurrent License	Windows	Connectivity
Linux Utilities
Ant	Andes, Polaris, Discovery	Linux	Java based built tool (make)
cmake	Discovery	Linux	Linux build utility
mpiexec	Discovery	Linux	MPI parallel job launcher
scons	Polaris, Discovery	Linux	Make utility