Beda
From SNIC Documentation
(Redirected from User:Mattias Slabanja (C3SE)/Beda)
Name | Beda |
---|---|
Description | throughput cluster resource |
Resource type | compute |
Centre | C3SE |
Is active | no |
Start date | |
End date |
Available software
Software | Field | License | Description |
---|---|---|---|
ABINIT | Computational materials science Computational chemistry |
Free | density-functional theory code |
ANSYS | Computational fluid dynamics | Requires license | large modeling suite |
ASE | Computational materials science | Free | framework for setting up and analyzing atomistic simulations |
Abaqus | Solid mechanics | Requires license | finite-element package |
BLAST | Bioinformatics | Free | package for aligning nucleotide or amino acid sequences |
BioPerl | Bioinformatics | Free | A community effort to produce Perl code which is useful in biology. |
BioPython | Bioinformatics | Free | A set of freely available tools for biological computation written in Python by an international team of developers. |
CP2K | Computational materials science Computational chemistry |
Free | atomistic and molecular simulations code |
Comsol | Computational materials science Computational fluid dynamics |
Site license | Commercial Mulitphysics Similation software |
DIANA | Solid mechanics | Requires license | commercial FEM package |
Dacapo | Computational materials science Computational chemistry |
Free | plane-wave DFT |
Edge | Computational fluid dynamics | unstructured CFD solver | |
Efield | Computational electromagnetics | Requires license | simulation environment for electromagnetic simulations |
Fire | Computational fluid dynamics | Requires license | commercial computational fluid dynamics package |
Fluent | Computational fluid dynamics | Requires license | commercial computational fluid dynamics package |
GPAW | Computational materials science Computational chemistry |
Free | real-space DFT |
GROMACS | Molecular dynamics Computational chemistry Bioinformatics |
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 |
Intel compiler suite | System tool | Site license | compilers for C, C++ and Fortran |
Jaguar | Computational chemistry | Requires license | ab initio quantum mechanics |
LAMMPS | Molecular dynamics Computational materials science |
Free | classical molecular dynamics code |
NWChem | |||
NumPy | Scientific computing | Free | the fundamental package needed for scientific computing with Python |
Octave | Scientific computing Visualisation |
Free | numerical computation and visualisation language |
Octopus | Computational materials science Computational chemistry |
Free | time dependent density-functional theory code |
OpenFOAM | Computational fluid dynamics | Free | free, open source CFD software package by OpenCFD Ltd |
PowerFLOW | Computational fluid dynamics | Requires license | commercial computational fluid dynamics package |
Quantum Espresso | Computational materials science Computational chemistry |
Free | DFT based electronic structure modeling codes |
R | Scientific computing Visualisation Programming language |
Free | statistical computing and visualisation language. |
SIESTA | Computational materials science Computational chemistry |
Requires license | density-functional theory code for very large systems |
Schrodinger | |||
Scipy | |||
VASP | Computational materials science Computational chemistry |
Requires license | electronic structure calculation |
VMD | Molecular dynamics Bioinformatics Visualisation |
Free | visualise and analyse large biomolecular systems |