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Showing 3 open source projects for "small"
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ParamIT
a Toolset for Molecular Mechanical Force Field Parameterization
ParamIT is a toolkit aiding the development of molecular mechanical force field parameterization of small, drag like, molecules within CHARMM general force field (CGenFF) protocol. The developed toolkit helps the researchers in following ways: 1) automating the creation of multiple input files for quantum and molecular mechanics programs, 2) automating the output analysis and 3) substitute the use of full MM programs with a faster specialized one. The developed tools include: 1) generator... -
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Application proxy toolkit which inherits the ideology of TIS fwtk and maintains API backwards compatibility. The design goal is to make it simple yet powerful; no performance hacks allowed in the code and library dependencies are reduced to minimum.
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Strength in numbers. Existing products we're involved in include port to Linux of Tony Forbes' MFAC for brute-force factorization of MM61 for relatively small factors, and further development and improvement of Tim Charron's ECMnet distributed computing f
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