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A list of all pages that have property "Description" with value "powerful molecular electronic structure program.". 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

  • 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 2012  + (parallel performance optimization tools)
  • Test training 2014  + (parallel performance optimization tools)
  • CPMD  + (plane-wave DFT)
  • Dacapo  + (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)
  • Matlab  + (programming language with extensive plotting and graphics functionalities)
  • Category:Parallel programming  + (programming with multiple threads or processes)
  • Rosetta  + (protein structure prediction suite)
  • GPAW  + (real-space DFT)
  • POV-Ray  + (render high-quality images of three dimensional objects)
  • Halvan  + (shared-memory computer with 64 cores and 2 TB of memory)
  • Efield  + (simulation environment for electromagnetic simulations)
  • Category:Visualisation  + (software for graphical representation of data)
  • Coot  + (software for macromolecular model building, model completion and validation, particularly suitable for protein modelling using X-ray data)
  • Molsim  + (software for molecular dynamic, Monte Carlo, and Brownian dynamics simulation)
  • Totalview  + (source code defect analysis tool)
  • R  + (statistical computing and visualisation language.)
  • Category:Structural biology  + (structural and functional analysis of proteins and their biomolecular complexes)
  • NumPy  + (the fundamental package needed for scientific computing with Python)
  • Bioscope  + (the pipeline stack that comes with the solid sequence platform)
  • VTune Amplifier  + (threading and performance optimization tool)
  • Glenn  + (throughput cluster resource)
  • Hebbe  + (throughput cluster resource)
  • Beda  + (throughput cluster resource)
  • Kappa  + (throughput cluster resource of 26 TFLOPS)
  • Platon  + (throughput cluster resource of 26 TFLOPS)
  • Alarik  + (throughput cluster resource of 40 TFLOPS)
  • Ferlin  + (throughput cluster resource of 58 TFLOPS)
  • Siri  + (throughput resource for SweGrid)