Semantic search
[[Property:Software|Software]] | Field | License | Description |
---|---|---|---|
ANSYS | Computational fluid dynamics | Requires license | large modeling suite |
BLAST | Bioinformatics | Free | package for aligning nucleotide or amino acid sequences |
CS-Rosetta | Bioinformatics | Free | de novo protein structure generation |
ClustalW | Bioinformatics | Free | popular multiple sequence aligner |
Comsol | Computational materials science Computational fluid dynamics | Site license | Commercial Mulitphysics Similation software |
Cpmd | |||
Dalton | Computational chemistry | powerful molecular electronic structure program. | |
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 |
Edge | Computational fluid dynamics | unstructured CFD solver | |
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 |
Fluent | Computational fluid dynamics | Requires license | commercial computational fluid dynamics package |
GROMACS | Computational chemistry Bioinformatics Molecular dynamics | Free | versatile package for molecular dynamics |
Gaussian | Computational chemistry | Site license | widely used quantum chemistry software |
Gnuplot | Visualisation | Free | portable command-line driven graphing utility |
Grace | Visualisation | Free | WYSIWYG tool to make two-dimensional plots of scientific data |
Greens | Computational materials science | Free | electronic structure codes based on the KKRASA Green's function technique |
HMMER | Bioinformatics | Free | package for working with profile hidden Markov models (HMM) |
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 |
MVAPICH2 | System tool | Free | MPI library |
Mafft | Bioinformatics | Free | multiple sequence alignment program |
Mathematica | Scientific computing | Site license | computational software for technical computing |
Matlab | Visualisation Programming language | Site license | programming language with extensive plotting and graphics functionalities |
Muscle | Bioinformatics | Free | fast, high-quality multiple sequence alignment |
NMRPipe | Bioinformatics | Free | NMR spectroscopy data analysis suite |
Octave | Visualisation Scientific computing | Free | numerical computation and visualisation language |
Open MPI | System tool | Free | open source MPI library |
P4VASP | Computational chemistry Computational materials science | Free | visualization suite for VASP |
PGI | System tool | Site license | compiler suite |
POV-Ray | Visualisation | Free | render high-quality images of three dimensional objects |
Paraview | |||
R | Visualisation Programming language Scientific computing | Free | statistical computing and visualisation language. |
Rosetta | Bioinformatics | Site license | protein structure prediction suite |
Ruby | Programming language | Free | dynamic, reflective, general-purpose object-oriented programming language |
SAM | Bioinformatics | Free | hidden Markov model analysis of biological sequences |
SIESTA | Computational chemistry Computational materials science | Requires license | density-functional theory code for very large systems |
SWIG | Free | wrap fast libraries for use in high level languages | |
Schrodinger | |||
Swestore Documentation Moved | |||
Totalview | System tool | Site license | source code defect analysis tool |
Trace analyzer and collector | System tool | Site license | MPI job analyser tool |
VASP | Computational chemistry Computational materials science | Requires license | electronic structure calculation |
VMD | Bioinformatics Molecular dynamics Visualisation | Free | visualise and analyse large biomolecular systems |
VTune Amplifier | System tool | Site license | threading and performance optimization tool |