Search Results for "open-shell"

gVirtualXRay is a C++ library to simulate X-ray imaging. It is based on the Beer-Lambert law to compute the absorption of light (i.e. photons) by 3D objects (here polygon meshes). It is implemented on the graphics processing unit (GPU) using the OpenGL Shading Language (GLSL). SimpleGVXR is a smaller library build on the top of gVirtualXRay. It provides wrappers to Python, R, Ruby, Tcl, C#, Java, and GNU Octave.

This is a library for creating and manipulating graphs with focus on speedy operations for large, sparse graphs.

Tool to simulate pressure-driven liquid filtration by filters composed by channels with nanostructured walls.

Neural Network for physicists. A flexible code in which the user has high control of the network parameters. The code provides a chi^2 cost function. The code accepts user-defined cost function and neuron activation functions.

Library of functions used to model simple (one dimensional) liquid crystal cells

We use R (www.r-project.org) in order to generate a greater specificity and sensitivity of protein identification by Mass Spectrometry. These functions are implemented as add-on packages to the open source GPL software R.