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Exciting-codeComputational chemistry
Computational materials science
full-potential all-electron density-functional-theory (DFT) package based on the linearized augmented plane-wave (LAPW) method
FASTABioinformaticspackage for aligning nucleotide or amino acid sequences
FASTXBioinformaticsA collection of command line tools for Short-Reads FASTA/FASTQ files preprocessing.
FEFFComputational chemistry
Computational materials science
a real-space full multiple scattering (RSFMS) Green's function method
FFTWComputational science
Performance library
Freely available high performance library to perform fast Fourier transformations
FastQCBioinformaticsAims to provide a simple way to do some quality control checks on raw sequence data coming from high throughput sequencing pipelines.
FireComputational fluid dynamicscommercial computational fluid dynamics package
FluentComputational fluid dynamicscommercial computational fluid dynamics package
FreeBayesBioinformaticsBayesian SNP and short indel caller from the Marth lab (who created Mosaik).
GAMESSComputational chemistry
Computational materials science
ab initio quantum chemistry
GARLIBioinformaticsPerforms heuristic phylogenetic searches ...
GATKBioinformaticsStructured software library for writing analysis tools for next-generation sequencing data.
GCTABioinformaticsA tool for Genome-wide Complex Trait Analysis
GENEPlasma turbulenceplasma microturbulence code
GNU compiler collectionSystem toolcompiler collection for a number of languages including C, C++ and Fortran
GPAWComputational chemistry
Computational materials science
real-space DFT
GROMACSComputational chemistry
Molecular dynamics
versatile package for molecular dynamics
GaussianComputational chemistrywidely used quantum chemistry software
GnuplotVisualisationportable command-line driven graphing utility
GraceVisualisationWYSIWYG tool to make two-dimensional plots of scientific data
GreensComputational materials scienceelectronic structure codes based on the KKRASA Green's function technique
HMMERBioinformaticspackage for working with profile hidden Markov models (HMM)
Hkl2mapStructural biologyis a graphical user-interface for macromolecular phasing
InspectorSystem toolmemory error and thread checker
Intel MPISystem toolMPI library
Intel compiler suiteSystem toolcompilers for C, C++ and Fortran
JaguarComputational chemistryab initio quantum mechanics
LAMMPSMolecular dynamics
Computational materials science
classical molecular dynamics code
MKLSystem toolefficient mathematics library
MOLDENComputational chemistry
Computational materials science
display ab initio molecular densities
MPQCComputational chemistryab initio quantum chemistry
MSC NastranSolid mechanicsFinite Element Analysis (FEA) solver
MUSICBioinformaticsC++ library for interprocess communication in large scale neuronal network simulations
MVAPICH2System toolMPI library
MafftBioinformaticsmultiple sequence alignment program
MathematicaScientific computingcomputational software for technical computing
Programming language
programming language with extensive plotting and graphics functionalities
MeepComputational materials sciencefinite-difference time-domain simulation software package
MolsimComputational chemistrysoftware for molecular dynamic, Monte Carlo, and Brownian dynamics simulation
MrBayesBioinformaticsBayesian estimation of phylogeny
MuscleBioinformaticsfast, high-quality multiple sequence alignment
NAMDComputational chemistry
Molecular dynamics
parallel molecular dynamics code
NCAR diagnostic packagesClimate researchclimate model diagnostics
NCLClimate researchanalysis and visualization
NCOClimate researchdata analysis
NMRPipeBioinformaticsNMR spectroscopy data analysis suite
NorESMClimate researchglobal climate model
NumPyScientific computingthe fundamental package needed for scientific computing with Python
Scientific computing
numerical computation and visualisation language
OctopusComputational chemistry
Computational materials science
time dependent density-functional theory code