OpenScience / Software



SciPy

Posted on February 23, 2001 by Dan Gezelter

SciPy is a Python-based ecosystem of open-source software for mathematics, science, and engineering. In particular, these are some of the core packages: NumPy, SciPy library, Matplotlib, IPython, Sympy, and pandas Find SciPy at: http://www.scipy.org/index.html

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GAlib

Posted on February 23, 2001 by Dan Gezelter

GAlib contains a set of C++ genetic algorithm objects. Find GAlib at: http://lancet.mit.edu/ga/

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NCO

Posted on February 23, 2001 by Dan Gezelter

Tools for manipulating netCDF data files Find NCO at: http://nco.sourceforge.net/

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MMTK

Posted on February 23, 2001 by Dan Gezelter

The Molecular Modelling Toolkit (MMTK) is a Python-based Open Source program library for molecular simulation applications. Find MMTK at: http://dirac.cnrs-orleans.fr/MMTK/

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Posted in Theoretical and Computational | Leave a comment

ScientificPython

Posted on February 23, 2001 by Dan Gezelter

ScientificPython is a collection of Python modules that are useful for scientific computing. Find ScientificPython at: http://dirac.cnrs-orleans.fr/plone/software/scientificpython

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Swarm

Posted on February 23, 2001 by Dan Gezelter

Swarm is a kernel and library for the multi-agent simulation of complex systems. The basic architecture of Swarm is a collection of concurrently interacting agents: within this architecture, a large variety of agent based models can be implemented. Find Swarm … Continue reading →

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Posted in Artificial Life, Complex Systems | Leave a comment

OSET

Posted on February 23, 2001 by Dan Gezelter

Organic Synthesis Exploration Tool is a program for the retrosynthetic analysis of target molecules. It is free software distributed under the GNU General Public License. Find OSET at: http://ivan.tubert.org/caos/

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Posted in Synthesis | 5 Comments

Grace / XMgr

Posted on October 31, 2000 by Dan Gezelter

Very versatile and powerful 2-d plotting package Find Grace / XMgr at: http://plasma-gate.weizmann.ac.il/Grace

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Java CML Filter Library (JCFL)

Posted on June 14, 2000 by Dan Gezelter

The Chemical Markup Language (CML) is a XML application for storing and transporting chemical information. The library makes use of the Chemical Data Object Programming Interface (CDOPI). Using the JCF Library means that the Java program must define a class … Continue reading →

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Jmol

Posted on April 29, 2000 by Dan Gezelter

Jmol is a free, open source molecule viewer for students, educators, and researchers in chemistry and biochemistry. It is cross-platform, running on Windows, Mac OS X, and Linux/Unix systems. It includes a web browser applet that can be integrated into … Continue reading →

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Posted in Molecule Viewers and Editors | Leave a comment