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1

JDFTx

Joint Density Functional Theory

JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information.

Downloads: 0 This Week

Last Update: 2023-01-09
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2

mdcore

MDcore is an Open-Source library implementing the core functionality of a Molecular Dynamics engine. The engine is inherently multi-threaded and runs efficiently on multi-processor/multi-core shared-memory architectures.

1 Review

Downloads: 0 This Week

Last Update: 2014-11-19
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3

AutoDock Software in Parallel with GPUs

Using the CUDA API this project modifies the AutoDock software to run in parallel on NVIDIA GPUs. Users will be able to download and compile the code and use AutoDock on CUDA capable Graphics Cards. Autodock is located at http://autodock.scripps.edu/

Downloads: 0 This Week

Last Update: 2016-08-11
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4

JaCuda

this is a small project which provides several mathematical function useful for a chemist or somebody working with mass specs. The goal is to provide several cuda and c based functions which can be easily accessed using java, groovy and python.

6 Reviews

Downloads: 0 This Week

Last Update: 2014-10-23
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