OPEN GENERAL SCIENTIFIC INTERFACES homepage : http://www.opengsi.org
MolCore is a open source library for chemistry, intended to bridge between the existing RDKit and Open Babel projects. MolCore will serve as the central "core" code between the two projects.
Drchem is a set of various tools useful in my scientific work (I'm a chemist) e.g. GPC calculations, bibliography managment, some of perl scripts helpful in plots/graphs processing.
ChemE aims to be a library for performing analytical operations specific to chemical engineering.
OBExtensions is a extension library for the chemoinformatics library Openbabel. It provides extensions to Openbabel, being mostly GUI widgets. OBExtensions has a 2D/3D viewer, 2D coordinates generator and some other extensions.
A C++ chemistry libarary. Implemented tripos force field. Can do low mode conformational search, generalized born model, conjugate minimization, and more ...
ARGonWin - Automatic retrosynthesis generator on (X)Windows: COMPUTERASSISTED ORGANIC SYNTHESIS / Chemoinformatics package to propose a chemical synthesis for an organic compound given its structural formula. (C++ XWindows/MSWindows). Based on OpenBabel.
A Qt-based implementation of matrix algorithms for solving linear equations. Includes common matrix operations such as addition, subtraction, multiplication, scaling, and more.
NEMESIS - Molecular Modelling Package.
In many parallel scientific applications the process of grid generation, decomposition, message passing, and performance measurements are of similar stucture. The projects intention is to develop a generic function library that will contain all these.
is a C + + library for simulating physical and chemical