python-indigo

Organic Chemistry Toolkit (Python module)

Indigo is a C++ based organic chemistry and cheminformatics software environment. Features Include:

gap-table-of-marks

GAP TomLib - The GAP Library of Tables of Marks

GAP is a system for computational discrete algebra, with particular emphasis on Computational Group Theory. GAP provides a programming language, a library of thousands of functions implementing algebraic algorithms written in the GAP language as well as large data libraries of algebraic objects. GAP is used in research and teaching for studying groups and their representations, rings, vector spaces, algebras, combinatorial structures, and more.

libindigo-java

Organic Chemistry Toolkit (Java package)

Indigo is a C++ based organic chemistry and cheminformatics software environment. Features Include:

libchemistry-openbabel-perl

Chemical toolbox library (perl bindings)

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include:

gap-gapdoc

GAPDoc - A Meta Package for GAP Documentation

GAP is a system for computational discrete algebra, with particular emphasis on Computational Group Theory. GAP provides a programming language, a library of thousands of functions implementing algebraic algorithms written in the GAP language as well as large data libraries of algebraic objects. GAP is used in research and teaching for studying groups and their representations, rings, vector spaces, algebras, combinatorial structures, and more.

python-polybori

transitional package

The core of PolyBoRi is a C++ library, which provides high-level data types for Boolean polynomials and monomials, exponent vectors, as well as for the underlying polynomial rings and subsets of the powerset of the Boolean variables. As a unique approach, binary decision diagrams are used as internal storage type for polynomial structures. On top of this C++-library a Python interface is provided. This allows parsing of complex polynomial systems, as well as sophisticated and extendable strategies for Groebner base computation. PolyBoRi features a powerful reference implementation for Groebner basis computation.