Semantic search
[[Property:Software|Software]] | Field | License | Description |
---|---|---|---|
ANSYS | Computational fluid dynamics | Requires license | large modeling suite |
ARCclient | |||
Amber | Computational chemistry Molecular dynamics | Requires license | molecular dynamics |
BLAST | Bioinformatics | Free | package for aligning nucleotide or amino acid sequences |
CP2K | Computational chemistry Computational materials science | Free | atomistic and molecular simulations code |
CPMD | Computational chemistry Computational materials science | Free | plane-wave DFT |
Ccp4 | Visualisation Structural biology | Free | determining macromolecular structures by X-ray crystallography |
Cdo | |||
Cif2cell | |||
ClustalW | Bioinformatics | Free | popular multiple sequence aligner |
Cmake | |||
Code saturne | |||
Comsol | Computational materials science Computational fluid dynamics | Site license | Commercial Mulitphysics Similation software |
Coot | Visualisation Structural biology | Free | software for macromolecular model building, model completion and validation, particularly suitable for protein modelling using X-ray data |
Dl poly | |||
EMTO | Computational materials science | Free | Exact Muffin-Tin Orbitals method, an electronic structure code based on the Green's function technique |
EMTOx | Computational materials science | Free | Exact Muffin-Tin Orbitals method (x), an electronic structure code based on the Green's function technique |
Elk | Computational chemistry Computational materials science | Free | all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features |
Exciting-code | Computational chemistry Computational materials science | Free | full-potential all-electron density-functional-theory (DFT) package based on the linearized augmented plane-wave (LAPW) method |
FASTA | Bioinformatics | Free | package for aligning nucleotide or amino acid sequences |
Ferret | |||
Fluent | Computational fluid dynamics | Requires license | commercial computational fluid dynamics package |
GNU compiler collection | System tool | Free | compiler collection for a number of languages including C, C++ and Fortran |
GROMACS | Computational chemistry Bioinformatics Molecular dynamics | Free | versatile package for molecular dynamics |
Gamess-us | |||
Gaussian | Computational chemistry | Site license | widely used quantum chemistry software |
Gaussview | |||
Gnuplot | Visualisation | Free | portable command-line driven graphing utility |
Grace | Visualisation | Free | WYSIWYG tool to make two-dimensional plots of scientific data |
Graphviz | |||
Grib api | |||
Gribex | |||
HMMER | Bioinformatics | Free | package for working with profile hidden Markov models (HMM) |
Hdf5 | |||
Hkl2map | Structural biology | Free | is a graphical user-interface for macromolecular phasing |
Inspector | System tool | Site license | memory error and thread checker |
Intel MPI | System tool | Site license | MPI library |
Intel compiler suite | System tool | Site license | compilers for C, C++ and Fortran |
LAMMPS | Molecular dynamics Computational materials science | Free | classical molecular dynamics code |
MKL | System tool | Site license | efficient mathematics library |
MOLDEN | Computational chemistry Computational materials science | Free | display ab initio molecular densities |
Mathematica | Scientific computing | Site license | computational software for technical computing |
Matlab | Visualisation Programming language | Site license | programming language with extensive plotting and graphics functionalities |
NCO | Climate research | Free | data analysis |
NMRPipe | Bioinformatics | Free | NMR spectroscopy data analysis suite |
Namd | |||
Ncl | |||
Ncview | |||
Netcdf | |||
Nwchem |