Details
The following software is available to researchers:
Bioinformatics
| Software |
Availability |
OS |
Comments |
| mrbayes |
Discovery |
Linux |
Bayesian Inference of phylogeny |
| msbayes |
Discovery |
Linux |
Complex and flexible comparative phylogeographic inference |
Chemistry
| Software |
Availability |
OS |
Comments |
| 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 |
| Jaquar |
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
| Software |
Availability |
OS |
Comments |
| Maple |
Andes, Polaris, Discovery |
Linux |
Mathematical and analytical software |
| Mathematica |
Andes, Polaris, Discovery |
Linux, Windows |
Mathematical and analytical software |
| Matlab |
Andes, Polaris, Discovery |
Linux, Macintosh, Windows |
Mathematical and analytical software |
Statistics
| Software |
Availability |
OS |
Comments |
| 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 |
Macintosh, Windows |
Statistical analysis. KeyServed concurrent licenses |
| Stata |
Andes, Keyserved |
Linux, Macintosh, Windows |
Statistical analysis. KeyServed concurrent licenses |
Data Visualization and Graphics
| Software |
Availability |
OS |
Comments |
| 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 |
Linux |
Visual Molecular Dynamics |
Compilers
| Software |
Availability |
OS |
Comments |
| 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
| Software |
Availability |
OS |
Comments |
| 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 |
Andes, Polaris, Discovery |
Linux |
High performance linear algebra Library |
Earth Sciences, Geography and Geographic Information Systems
| Software |
Availability |
OS |
Comments |
| ESRI/ArcGIS |
Network License |
Windows |
Remote sensing/GIS |
| ArcPy |
|
Windows |
Python library licensed by ESRI / ArcGIS |
| GDAL |
Andes, Polaris |
Linux |
Geospatial Data Abstraction Library Utility |
| R-GDAL |
Windows |
Windows |
R project spatial tools |
Miscellaneous
| Software |
Availability |
OS |
Comments |
| ESRI/GIS |
Network License |
Windows |
Remote sensing/GIS |
| mplayer |
Discovery |
Linux |
Movie player for Linux |
| ompP |
Discovery |
Linux |
ompMP profiler |
| Overleaf |
Professional License |
browser |
Collaborative, online, LaTeX editor for your projects |
| Qt4 |
Discovery |
Linux |
Cross platform development tool. Required by Avogadro |
| subversion |
Andes, Polaris, Discovery |
Linux |
Version control |
| TotalView |
Andes, Polaris, Discovery |
Linux |
Code debugger |
| Xwin32 |
Concurrent License |
Windows |
Connectivity |
Linux Utilities
| Software |
Availability |
OS |
Comments |
| 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 |
In addition, the following resources are available for support of this research software:
For more information, see:
To contact a research consultant, e-mail Research.Computing@dartmouth.edu