Search Results for "equilibrium linux"
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Showing 4 open source projects for "equilibrium linux"
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BioEmu
Inference code for scalable emulation of protein equilibrium ensembles
Biomolecular Emulator (BioEmu for short) is a model that samples from the approximated equilibrium distribution of structures for a protein monomer, given its amino acid sequence. By default, unphysical structures (steric clashes or chain discontinuities) will be filtered out, so you will typically get fewer samples in the output than requested. The difference can be very large if your protein has large disordered regions, which are very likely to produce clashes. BioEmu outputs structures... -
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ASALI
ASALI is an open-source code for chemical engineers
Do you work with chemical reactors? Are you curious about them? ASALI is the open-source code that you are looking for. Chemical reactor models, transport/thermodynamic properties of gases, equilibrium calculations. ASALI couples all these features with an user friendly graphical interface. Modeling chemical reactors has never been so easy. -
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Column Rebar Optimization
EC2/EC8 longitudial rebar optimization in concrete columns
For given set of external load combinations it checks section integrity (mode 1). Also it does rebar optimization (mode 2). -
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Set of python scripts that can be used for the calculations of equilibrium fractionation factors from experiments and from statistical mechanics theory. python scripts use Scipy/Numpy/Matplotlib/WxPython for calculations, plotting and the GUI
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