22 projects tagged "Chemistry"
Jmol is a Free, Open Source molecule viewer and editor. It is a collaboratively developed visualization and measurement tool for chemical scientists. Jmol is an active project, and there are new features being added to it on a daily basis. Users are encouraged to modify it to fit their needs and to contribute their changes to the project.
Folding@home simulates protein folding. We do not entirely understand how proteins actually operate, but one important step is to study how proteins self-assemble or "fold." This is an extremely computationally intensive task since proteins take in the order of microseconds to milliseconds to fold, yet we can only routinely simulate over nanosecond to microsecond time scales. This system provides a new way to simulate protein folding that can break the millisecond barrier by dividing the work between multiple processors. Thus, with 1000 processors, we can break the millisecond barrier and help unlock the mystery of how proteins fold.
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.
GenChemLab is an OpenGL-based application intended to simulate several common general chemistry laboratory exercises. It is meant to be used to help students prepare for actual lab experience. Supported experiments include titration, calorimetry, freezing point depression, vapor pressure, electrochemistry, and spectrophotometry.
Asymptopia Flashcard System uses Motif and LaTeX to produce, manage, and use attractively formatted flashcards. You load some or all of your "collections" and set the timer for pop-up frequency. The GUI interface and "Collection Manager" make creating and modifying flashcards as simple as pushing a single button. A knowledge of LaTeX is only required when entering special symbols.
Teriodic is a training tool for the periodic table of the elements. Starting from 1 (hydrogen), it quizzes the abreviations of each element in numerical order. If you make a mistake, it shows you the next five elements and lets you start again from hydrogen. Knowing the periodic table makes it possible to estimate what chemicals look like and how they react.
A program to notify you about calls on a FRITZ!Box via Dreambox or IM.