The massXpert software package is a mass spectrometry environment for linear (bio-)polymers. It inherits all the innovations of GNU polyxmass. It allows the detailed definition of new polymer chemistries in the XpertDef module. These chemistry definitions are then used in the desktop calculator-like mass calculator (XpertCalc) and in the sophisticated polymer sequence editor and (bio-)chemical/mass spectrometric simulations module (XpertEdit). Available simulations include polymer and monomer chemical modifications, polymer sequence cleavage, gas-phase fragmentation, m/z ratio calculations, and more.
Emergent is a neural network simulator with a built-in scripting language which allows for the creation and analysis of complex, sophisticated models of the brain in the world. Networks and all of their state variables are visually inspected in 3D, allowing quick "visual regression" of network dynamics and robot behavior. Emergent is a direct descendant of the PDP and PDP++ neural network packages.
BALLView is an extensible viewer for bio-molecular structures. It provides all standard models and offers rich functionality for molecular modeling and simulation, including molecular mechanics methods (AMBER, CHARMM, and MMFF94 force fields), continuum electrostatics methods employing a Finite-Difference Poisson Boltzmann solver, secondary structure calculation, molecular editing and docking. Since BALLView is based on BALL (the Biochemical ALgorithms Library), it is easily extensible on the level of C++ code. In addition, it provides a Python interface with Integrated Development Environment features to allow interactive rapid prototyping.
The Chemistry Development Kit (CDK) is a library of Java classes for chemo-, bioinformatics, computational chemistry, and chemometrics. It provides important algorithms like substructure search, SMILES, Gasteiger charges, QSAR descriptor calculation, 3D structure generation, 2D layout and rendering, many IO formats, atom typing, and more.
Biogenesis simulates in a visual fashion the processes involved in the evolution of unicellular organisms in nature. It tries to be a didactic approximation to the ideas of mutation or evolution, and can be enjoyed also as an entertainment. It's intended to serve as a support to show students some basic biological facts. The idea of Biogenesis is taken from Primordial Life, but it's an independent project.
COPASI is a software application for modeling and simulation of biochemical networks. The software package has a GUI that lets users define biochemical network models by entering chemical reactions and kinetic equations. A powerful simulation engine can then perform simulations of the dynamics of the networks and carry out many different computational analyses. COPASI can simulate dynamics using either an ODE approach or a stochastic chemical kinetics approach (Gillespie-type algorithms).
Babase is a baboon data management system. It is designed to facilitate the retrieval, storage, maintenance, and analysis of the following broad data categories: group membership, social status (dominance rank), life events, sexual cycle events (including progeny), sexual cycle day-to-day status, dyadic social interactions, focal animal samples, and multi-party social interactions. Integration of other data is supported. Babase is designed for Web access.
Cell Electrophysiology Simulation Environment is a framework to perform electrophysiological simulations. It can, for example, simulate cardiac myocyte electrical activity. It is useful for simulations of action potentials, individual ionic currents, and changes in ionic concentrations.
CLC Free Workbench enables users to perform bioinformatics analyses and smooth data management, combined with excellent graphical viewing and output options. Some of the features are GenBank searching, including download facilities and full graphical overview; user-friendly graphical tools for viewing DNA, RNA, and protein sequences; full integration of data input, data management, calculations results, and data export; DNA, RNA, and protein alignment tools; reverse translation; restriction site analysis; and phylogenetic analyses.