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A list of all pages that have property "Description" with value "molecular dynamics". Since there have been only a few results, also nearby values are displayed.

Showing below up to 26 results starting with #1.

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List of results

  • MKL  + (efficient mathematics library)
  • ACML  + (efficient mathematics library)
  • CASTEP  + (electronic structure calculation)
  • VASP  + (electronic structure calculation)
  • Greens  + (electronic structure codes based on the KKRASA Green's function technique)
  • Muscle  + (fast, high-quality multiple sequence alignment)
  • Meep  + (finite-difference time-domain simulation software package)
  • Abaqus  + (finite-element package)
  • ASE  + (framework for setting up and analyzing atomistic simulations)
  • OpenFOAM  + (free, open source CFD software package by OpenCFD Ltd)
  • Exciting-code  + (full-potential all-electron density-functional-theory (DFT) package based on the linearized augmented plane-wave (LAPW) method)
  • EC-Earth  + (global climate model)
  • NorESM  + (global climate model)
  • CESM1  + (global climate model)
  • SAM  + (hidden Markov model analysis of biological sequences)
  • Category:Performance optimisation  + (improving the computational efficiency of an application)
  • Category:Bioinformatics  + (information handling in biology)
  • Shake n bake  + (is a computer program based on Shake-and-Bake, a dual-space direct-methods procedure for determining crystal structures from X-ray diffraction data.)
  • Hkl2map  + (is a graphical user-interface for macromolecular phasing)
  • Pymol  + (is a molecular visualization system.)
  • Shelx  + (is a set of programs for the determination of small (SM) and macromolecular (MM) crystal structures by single crystal X-ray and neutron diffraction.)
  • Phenix  + (is a software suite for the automated determination of macromolecular structures using X-ray crystallography and other methods)
  • ANSYS  + (large modeling suite)
  • Yambo  + (many-body calculations in solid state and molecular physics)
  • Inspector  + (memory error and thread checker)
  • Amber  + (molecular dynamics)
  • ESPResSo  + (molecular dynamics of soft matter systems)
  • Desmond  + (molecular dynamics package)
  • Mafft  + (multiple sequence alignment program)
  • Octave  + (numerical computation and visualisation language)
  • Category:HPC training  + (offering training and education to the SNIC communities in HPC related matters.)
  • Open MPI  + (open source [[MPI]] library)
  • SciPy  + (open-source software for mathematics, science, and engineering.)
  • Category:Performance tuning  + (optimisation of simulation applications with respect to an optimal use of hardware features.)
  • Category:Neuroinformatics  + (organization of neuroscience data)
  • BLAST  + (package for aligning nucleotide or amino acid sequences)
  • FASTA  + (package for aligning nucleotide or amino acid sequences)
  • PHYLIP  + (package for inference of phylogenies)
  • Simson  + (package for solving the Navier-Stokes equations for incompressible channel and boundary layer flows)
  • HMMER  + (package for working with profile hidden Markov models (HMM))
  • Environment modules  + (package to manage the systems and application software)
  • NAMD  + (parallel molecular dynamics code)
  • Test training 2014  + (parallel performance optimization tools)
  • Test training 2012  + (parallel performance optimization tools)
  • Dacapo  + (plane-wave DFT)
  • CPMD  + (plane-wave DFT)
  • GENE  + (plasma microturbulence code)
  • ClustalW  + (popular multiple sequence aligner)
  • Gnuplot  + (portable command-line driven graphing utility)
  • Dalton  + (powerful molecular electronic structure program.)
  • TAU  + (profiling and tracing tool-kit for performance analysis of parallel programs)