ScientificPython is an open source library of scientific tools for the Python programming language.

The library includes

• mathematical tools like
  • Differentiation for functions of any number of variables up to any order
  • Numerical integration using the Romberg algorithm
  • Newton-Raphson for numerical root finding
  • Non-linear least squares fitting
• support for parallel computing
  • Bulk Synchronous Parallel
  • Message Passing Interface
• and several input/output interfaces, notably with
  • NetCDF files
  • Protein Data Bank files
  • Fortran-compatible text formatting
  • VRML for 3D visualizations

Qt and Tk widget toolkits are provided for building cross-platform graphical user interfaces.

ScientificPython is released under the CeCILL.

The main developer and maintainer of ScientificPython is Konrad Hinsen of Orléans University who uses it as a building block for his own research code, in particular the molecular modeling toolkit MMTK^[1] and the software nMoldyn that uses molecular dynamics trajectories to predict neutron scattering spectra.^[2] Outside this particular application context, most users are likely to prefer the package SciPy, which has seen a more dynamic evolution in the decade 2000-2010, involving several active developers.

See also

• List of numerical analysis software

External links

• Project homepage

• Module overview
• Manual

1. ^ Konrad Hinsen: The molecular modeling toolkit: A new approach to molecular simulations. Journal of Computational Chemistry 21, 79-85 (2000)
2. ^ T. Róg, K. Murzyn, K. Hinsen, G. R. Kneller: nMoldyn: A program package for a neutron scattering oriented analysis of molecular dynamics simulations. Journal of Computational Chemistry 24, 657–667 (2003).