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[[Property:Software|Software]]FieldLicenseDescription
ANSYSComputational fluid dynamicsRequires licenselarge modeling suite
BLASTBioinformaticsFreepackage for aligning nucleotide or amino acid sequences
CS-RosettaBioinformaticsFreede novo protein structure generation
ClustalWBioinformaticsFreepopular multiple sequence aligner
ComsolComputational materials science
Computational fluid dynamics
Site licenseCommercial Mulitphysics Similation software
Cpmd
DaltonComputational chemistrypowerful molecular electronic structure program.
EMTOComputational materials scienceFreeExact Muffin-Tin Orbitals method, an electronic structure code based on the Green's function technique
EMTOxComputational materials scienceFreeExact Muffin-Tin Orbitals method (x), an electronic structure code based on the Green's function technique
EdgeComputational fluid dynamicsunstructured CFD solver
ElkComputational chemistry
Computational materials science
Freeall-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features
Exciting-codeComputational chemistry
Computational materials science
Freefull-potential all-electron density-functional-theory (DFT) package based on the linearized augmented plane-wave (LAPW) method
FluentComputational fluid dynamicsRequires licensecommercial computational fluid dynamics package
GROMACSComputational chemistry
Bioinformatics
Molecular dynamics
Freeversatile package for molecular dynamics
GaussianComputational chemistrySite licensewidely used quantum chemistry software
GnuplotVisualisationFreeportable command-line driven graphing utility
GraceVisualisationFreeWYSIWYG tool to make two-dimensional plots of scientific data
GreensComputational materials scienceFreeelectronic structure codes based on the KKRASA Green's function technique
HMMERBioinformaticsFreepackage for working with profile hidden Markov models (HMM)
InspectorSystem toolSite licensememory error and thread checker
Intel MPISystem toolSite licenseMPI library
Intel compiler suiteSystem toolSite licensecompilers for C, C++ and Fortran
LAMMPSMolecular dynamics
Computational materials science
Freeclassical molecular dynamics code
MKLSystem toolSite licenseefficient mathematics library
MOLDENComputational chemistry
Computational materials science
Freedisplay ab initio molecular densities
MVAPICH2System toolFreeMPI library
MafftBioinformaticsFreemultiple sequence alignment program
MathematicaScientific computingSite licensecomputational software for technical computing
MatlabVisualisation
Programming language
Site licenseprogramming language with extensive plotting and graphics functionalities
MuscleBioinformaticsFreefast, high-quality multiple sequence alignment
NMRPipeBioinformaticsFreeNMR spectroscopy data analysis suite
OctaveVisualisation
Scientific computing
Freenumerical computation and visualisation language
Open MPISystem toolFreeopen source MPI library
P4VASPComputational chemistry
Computational materials science
Freevisualization suite for VASP
PGISystem toolSite licensecompiler suite
POV-RayVisualisationFreerender high-quality images of three dimensional objects
Paraview
RVisualisation
Programming language
Scientific computing
Freestatistical computing and visualisation language.
RosettaBioinformaticsSite licenseprotein structure prediction suite
RubyProgramming languageFreedynamic, reflective, general-purpose object-oriented programming language
SAMBioinformaticsFreehidden Markov model analysis of biological sequences
SIESTAComputational chemistry
Computational materials science
Requires licensedensity-functional theory code for very large systems
SWIGFreewrap fast libraries for use in high level languages
Schrodinger
Swestore Documentation Moved
TotalviewSystem toolSite licensesource code defect analysis tool
Trace analyzer and collectorSystem toolSite licenseMPI job analyser tool
VASPComputational chemistry
Computational materials science
Requires licenseelectronic structure calculation
VMDBioinformatics
Molecular dynamics
Visualisation
Freevisualise and analyse large biomolecular systems
VTune AmplifierSystem toolSite licensethreading and performance optimization tool