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.