libopenchemlib-java
framework providing cheminformatics core functionality
OpenChemLib is Java based framework providing cheminformatics core
functionality and user interface components. Its main focus is on organics
chemistry and small molecules. It is built around a StereoMolecule class,
which represents a molecule using atom and bond tables, provides atom
neighbours, ring and aromaticity information, and supports MDL's concept of
enhanced stereo representation. Additional classes provide, 2D-depiction,
descriptor calculation, molecular similarity and substructure search,
reaction search, property prediction, conformer generation, support for
molfile and SMILES formats, energy minimization, ligand-protein
interactions, and more. OpenChemLib's idcode represents molecules,
fragments or reactions as canonical, very compact string that includes
stereo and query features.
gap-aclib
GAP AClib - Almost Crystallographic Groups - A Library and Algorithms
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.
gap-fga
GAP FGA - Free Group Algorithms
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.
gap-cryst
GAP Cryst - Computing with crystallographic groups
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.
gap-crystcat
GAP CrystCat - The crystallographic groups catalog
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.
gap-nq
GAP nq - Nilpotent Quotients of Finitely Presented Groups
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.