Computational Chemistry

Numarray provides array manipulation and computational capabilities similar to those found in IDL, Matlab, or Octave. Using numarray, it is possible to write many efficient numerical data processing applications directly in Python without using any C, C++ or Fortran code (as well as doing such... Platforms: *nix

StrBio is a set of Java classes and libraries useful for development of software for computational structural biology research. They are licenced under the LGPL. he strbio.org classes are the basis for several published research projects, including the Pred2ary secondary structure prediction... Platforms: *nix

Knorpora is a modified version of the Knoppix 3.3 Live CD for students of corpus-based computational linguistics. Like Knoppix, the Knorpora CD allows you to run a fully operational Debian/Linux operating system from the CD-ROM drive, without installing anything on the computer. The Knorpora... Platforms: *nix

Circuit Aid contains a resistor circuit analysis tool that can build up to an 18 resistor series-parallel circuit. This tool will display voltage, amperage, and power used by every resistor in the circuit by means of mesh analysis. In addition, the program also contains a resistor color band... Platforms: Mac

ProjectileX allows the user to visually plot a trajectory of a projectile. Simply enter in initial velocity, theta, gravity, (and vertical and vertical landing positions optionally) to graph the projectile. After this, you will know the total distance, total time, time of height max, height max,... Platforms: Mac

A chemistry question and answer environment for students. ChemCalcs provides an intuitive system for mastering fundamental skills and processes essential to the understanding of chemistry calculations and concepts. The unique standardised interface system allows students to problem-solve... Platforms: Mac

Model ChemLab originated from academic work in computer simulation and software design at McMaster University. It has continued to be developed with extensive input from educators interested in the possible application of computer simulations for classroom and distance learning. Model ChemLab is... Platforms: Mac

A chemistry question and answer environment for students. ChemCalcs provides an intuitive system for mastering fundamental skills and processes essential to the understanding of chemistry calculations and concepts. The unique standardised interface system allows students to problem-solve... Platforms: Mac

TrigAid allows a student to quickly perform math and trigonometry related calculations with ease. The application has a geometry section, vectors, conics, matrices, axes rotation, linear equation, triangulator, sequences and much, much more. In addition, the application has a unit converter and a... Platforms: Mac

Number Press is the perfect solution for printshops, organizations, clubs or any type of business that need to number their documents. Ideal to number forms, raffles, NCR, Slips, Multiple-Up or anything that needs to be numbered. Choose any font, style, size or color Place up to 32 Numbers... Platforms: Mac

ChemSpotlight is a Spotlight metadata importer plug-in that reads common chemical file formats (MDL .mol, .mdl, .sd, .sdf, Tripos .mol2, Protein Data Bank .pdb, Chemical Markup Language .cml, and XYZ). It indexes chemistry files, adds molecular formulas (complete with subscripts in the Finder),... Platforms: Mac

Open source parallelized fractal generator for Mac clusters. This code is meant to help people experiment with and learn parallel programming as well as show how an interactive parallel application is written for clusters. You may try different parallelization techniques or substitute different... Platforms: Mac

NiCE, short for NEAMS Integrated Computational Environment is a simple, Java based application intended to allow flexible development and composition of a wide range of simulations, models and analysis tools for NEAMS integrated performance and safety codes. for WindowsAll Platforms: Windows

The purpose of this program is to get you started quickly with Neural Network without having to go through lengthy theory of the Neural Network background. Once you understand these programs you will be able to consult the Neural Network materials on a need basis. Spice-SOM's arm is to introduce... Platforms: Windows, Windows Vista, 7

Jmol is an applet and Java based application designed to display various 3D chemical information. Jmol's features include reading a variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed normal modes from quantum programs.... Platforms: Windows

aminoXpress integrates common functions biochemists perform on a daily bases. In addition to conventional sequence input protocol, the program offers a new protocol of entering sequence by its building blocks and corresponding counts. This facilitates the possibility for the program to deal with... Platforms: Windows

PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation... Platforms: Windows

MicroGP is designed as a computational approach for autonomously pursuing a goal defined by users. To this end, candidate solutions for the given task are repeatedly modified, evaluated and enhanced. MicroGP is an evolutionary algorithm since the alteration process mimics some principles of... Platforms: Windows

SDGB, also know as Software for Determining Balanced Graph is designed as a computational method for determining whether a given graph with weights on the vertices, is balanced. SDGB was developed with the help of the Java programming language and can run on multiple platforms. Platforms: Windows

Jmol is a free, open source molecule viewer for students, educators, and researchers in chemistry and biochemistry. It is cross-platform, running on Windows, Mac OS X, and Linux/Unix systems. * The JmolApplet is a web browser applet that can be integrated into web pages. * The Jmol application... Platforms: *nix