There are additional Discovery applications listed here: https://rc-new.dartmouth.edu/index.php/using-discovery/applications/
| 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 | |
| jwhamp | Linux, Windows, Mac | Cold Plasma Simulation code | ||
| 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 | ||||
| JMP | Windows, Mac | Statistical software | ||
| 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, and C++ compilers | |
| PGI Compilers | Andes, Polaris, Discovery | Linux | Fortran, C, and 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 the creation, access, and sharing array-oriented data | |
| scalapack | Discovery | Linux | High-performance linear algebra Library | |
| Miscellaneous | ||||
| ESRI/ArcGIS | Network License | Windows | Remote sensing/GIS | |
| FormZ65 | Windows, Mac | Architectural design (Studio Arts Only) | ||
| LaTeX | Discovery/Polaris/Andes | Windows/Mac/Linux | Typesetting and documents production | |
| mplayer | Discovery | Linux | Movie player for Linux | |
| ompP | Discovery | Linux | openMP profiler | |
| Qt4 | Discovery | Linux | Cross-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 | |