The CCP1GUI
The CCP1GUI project aims to develop a free, extensible Graphical User
Interface to various computational chemistry codes developed by the
worldwide academic community, with an emphasis on ab initio Quantum
Chemistry codes.
http://sourceforge.net/projects/ccp1gui |
Chemical Descriptors Library (CDL)
CDL provides a generic C++ framework to write algorithms for the calculation of molecular descriptors. CDL provides efficient substructure search, fingerprints and pharmacophore algorithms, and many more for the calculation molecular descriptors.
http://sourceforge.net/projects/cdelib |
SketchEl
Chemical structure sketching tool, for use with various cheminformatics applications. Convenient to use and moderately sophisticated. Suitable for viewing, creating and editing MDL MOL files.
http://sourceforge.net/projects/sketchel |
LAMMPS
LAMMPS is a classical molecular dynamics simulator designed for parallel machines. It can model atomic, polymeric, biological, metallic, or granular systems using a variety of force fields and boundary conditions and can be easily modified and extended.
http://sourceforge.net/projects/lammps |
Vimes
Vimes: Visual interface to materials simulations - An open source, python/Open GL interface to molecular and materials simulation programs
http://sourceforge.net/projects/vimes |
Octet
Octet is an object-oriented molecular representation framework written in Java.
http://sourceforge.net/projects/octet |
ProbeMaker
ProbeMaker is a framework for design of sets of oligonucleotide probes. It allows the design of different types of probes made up of separate sequence elements. A Plug-in mechanism allows extension of the framework with new functionalities.
http://sourceforge.net/projects/probemaker |
Bio-SPICE
Our goal is to create an open source framework and toolset for modeling dynamic cellular network functions, and to develop a user community committed to using, extending and exploiting these tools to further our knowledge of biologic processes.
http://sourceforge.net/projects/biospice |
MCDL
MCDL is a small Java molecular viewer/editor for chemical structures, stored in Modular Chemical Descriptor Language linear notation. Features include accurate structure diagram generation, and Kekule chemical structure creation from aromatic bond list.
http://sourceforge.net/projects/mcdl |
genome
This project provides visual interactive interfaces to custom algorithms used in genomes research.
http://sourceforge.net/projects/genome |
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Molecular Science