APBS is a software package for the numerical solution of the Poisson-Boltzmann equation (PBE), one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media. Continuum electrostatics plays an important role in several areas of biomolecular simulation, including simulation of diffusional processes to determine ligand-protein and protein-protein binding kinetics, implicit solvent molecular dynamics of biomolecules, solvation and binding energy calculations to determine ligand-protein and protein-protein equilibrium binding constants and aid in rational drug design, and biomolecular titration studies.
Algraeph is a tool for manual alignment of linguistic graphs, such as phrase structure trees or dependency structures, where each node corresponds to a subsequence of the analyzed input sentence. It allows you to express the similarity between two graphs by aligning their nodes and attaching relation labels to these alignments. Graphs are read from one or more graphbanks (or treebanks) in the GraphML or Alpino formats. Alignment relations are user-defined and are stored in a simple XML format, which can be used for further processing. The resulting parallel graph corpus is a useful data set for many tasks in computational linguistics and natural language processing.
AntFlow builds upon Apache Ant to provide a new approach to simplifying system automation that uses pipelines of hot folders chained together to perform a given task. Using XML, it associates an automated task such as data transfer, encryption, or XML processing with a directory on the local system. Whenever a file is copied or written into the hot folder, the associated task is executed and the file is moved to the next hot folder in the pipeline for further processing.
The Biochemical ALgorithms Library (BALL) is a framework for rapid application development in molecular modeling and structural bioinformatics. BALL provides an extensive set of data structures as well as classes for molecular mechanics, advanced solvation methods, comparison and analysis of protein structures, file import/export, NMR shift prediction, and visualization. Its extensibility results from an object-oriented and generic programming approach.
Berkeley DB XML is a native XML database engine for use within your product. Made available as a C++ library with language bindings for Java, Perl, Python, PHP, and Tcl, it integrates directly into your application (it is not a standalone database server). It provides XQuery access into a database of document containers. XML documents are stored and indexed in their native format using Berkeley DB as the transactional database engine.
Brain Workshop is an implementation of the Dual N-Back mental exercise. This exercise is a mental activity that has been scientifically shown to improve your working memory (short-term memory) and fluid intelligence. The game involves remembering a sequence of spoken letters and a sequence of positions of a square at the same time. Brain Workshop includes additional challenging game modes beyond Dual N-Back.
DOLFIN is the C++ interface of the FEniCS project for the Automation of Computational Mathematical Modeling (ACMM), providing a consistent PSE (Problem Solving Environment) for solving ordinary and partial differential equations. Key features include a simple, consistent and intuitive object-oriented API; automatic and efficient evaluation of variational forms through FFC; automatic and efficient assembly of linear systems; and support for general families of finite elements.