ScientificPython

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Not to be confused with SciPy.

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

The library includes

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][3] 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.

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References[edit]

  1. ^ Hinsen K (2000). "The molecular modeling toolkit: A new approach to molecular simulations". Journal of Computational Chemistry. 21 (2): 79–85. doi:10.1002/(SICI)1096-987X(20000130)21:2<79::AID-JCC1>3.0.CO;2-B. 
  2. ^ Róg T, Murzyn K, Hinsen K, Kneller GR; Keiner; Kneller; Schiller (2003). "nMoldyn: A program package for a neutron scattering oriented analysis of molecular dynamics simulations". Journal of Computational Chemistry. 24 (5): 657–667. doi:10.1002/jcc.10243. PMID 12632481. 
  3. ^ Calandrini, E. Pellegrini, P. Calligari, K. Hinsen, G.R. Kneller (2011). "nMoldyn - Interfacing spectroscopic experiments, molecular dynamics simulations and models for time correlation functions". Collection SFN. 12: 201–232. doi:10.1051/sfn/201112010. 

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