OpenScience / Software



Ghemical

Posted on February 23, 2001 by Dan Gezelter

Ghemical is a computational chemistry software package released under the GNU GPL. Ghemical can do all-atoms molecular mechanics (there is an experimental Tripos 5.2-like force field for organic molecules), and reduced protein models. Find Ghemical at: http://www.bioinformatics.org/ghemical/ghemical/index.html

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Posted in Molecular Dynamics, Molecule Viewers and Editors | 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

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

Goose

Posted on February 23, 2001 by Dan Gezelter

Goose is a LGPLed C++ library dedicated to statistical computation. Find Goose at: http://www.gnu.org/software/goose/

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Posted in Statistics | Leave a comment

AMMP Home Page

Posted on February 23, 2001 by Dan Gezelter

AMMP is a modern full-featured molecular mechanics, dynamics and modeling program. Find AMMP Home Page at: http://www.cs.gsu.edu/~cscrwh/ammp/ammp.html

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Posted in Molecular Dynamics | Leave a comment

DoD Planewave

Posted on February 23, 2001 by Dan Gezelter

A General Scalable Density Functional Code Find DoD Planewave at: http://cst-www.nrl.navy.mil/people/singh/planewave/v3.0/

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Posted in Ab Initio Quantum Chemistry | Leave a comment

Avida

Posted on February 23, 2001 by Dan Gezelter

Avida is an auto-adaptive genetic system designed primarily for use as a platform in Digital or Artificial Life research. In lay terms, Avida is a digital world in which self-replicating computer programs mutate and evolve. Avida allows the user to … Continue reading →

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Posted in Artificial Life | Leave a comment

nMOLDYN

Posted on February 23, 2001 by Dan Gezelter

nMOLDYN is a modular program package for the analysis of Molecular Dynamics simulations. It is especially designed for the computation and decomposition of neutron scattering spectra. Find nMOLDYN at: http://dirac.cnrs-orleans.fr/plone/software/nmoldyn/

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Posted in Molecular Dynamics | Leave a comment

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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Posted in Tools | Leave a comment

PARI-GP

Posted on February 23, 2001 by Dan Gezelter

PARI-GP is a software package for computer-aided number theory. Find PARI-GP at: http://www.parigp-home.de/

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Posted in Number Theory | Leave a comment