World Index of BioMolecular Visualization Resources Free Molecular Visualization and Modeling Software Caution: Some of free software listed here is Open Source in the strict sense, meaning that all derivatives are required to be free with open source code. If you plan to use the source code (not just the executable program), read the copyright restrictions carefully.
Description OpenMM is a library which provides tools for modern molecular modeling simulation. As a library it can be hooked into any code, allowing that code to do molecular modeling with minimal extra coding. Moreover, OpenMM has a strong emphasis on hardware acceleration, thus providing not just a consistent API, but much greater performance than what one could get from just about any other code available.
Simulating molecular motions provides researchers with information critical to designing vaccines and working on preventing diseases such as Alzheimer’s and Parkinson’s. But, until recently, researchers needed supercomputers or clusters to run molecular simulations. Now, reports ScienceDaily, a new open source application developed at Stanford University is making it possible to do complex simulations on desktop computers - faster than ever before.
A privately financed team of scientists and engineers is nearing completion of a special-purpose supercomputer intended to offer more than a thousandfold increase in performance for complex molecular simulations.
LMOND is a program specifically developed for generating and handling alignment independent descriptors called GRIND (GRid INdependent Descriptors). These are a new generation of 3D-molecular descriptors with application in 3D-QSAR, QSAR, virtual screenin