Search Results for "optimization" - Page 2
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Showing 51 open source projects for "optimization"
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QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available. See https://qmforge.net for more info.
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A symbolic framework for C++, Python and Octave implementing automatic differentiation by source code transformation in forward and reverse modes on sparse matrix-valued computational graphs.
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DACO-algorithm
A novel transcription factor complex prediction algorithm.
...Complexation of transcription factors and other regulatory proteins is a prevailing and highly conserved mechanism of signal integration within critical regulatory pathways and enable to infer controlled genes as well as the exerted regulatory mechanism. We developed DACO (domain-aware cohesiveness optimization), a novel algorithm that combines protein-protein interaction networks and domain-domain interaction networks with the cluster-quality metric cohesiveness. The metric is locally maximized on the holistic level of protein interactions while sophisticated connectivity constraints on the domain level are utilized to account for the exclusive and thus inherently combinatorial nature of the interactions within such assemblies. ... -
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...This sourceforge project contains only old historical versions of the software. SciPy is package of tools for science and engineering for Python. It includes modules for statistics, optimization, integration, linear algebra, Fourier transforms, signal and image processing, ODE solvers, and more.
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QSdpR
Viral Quasispecies Reconstruction software based on QSdpR algorithm
This is a viral quasispecies reconstruction software for quasispecies assembly problem on mRNA viruses, which is based on a correlation clustering approach and uses semidefinite optimization framework. The software accepts a reference genome, a NGS read set aligned to this reference and set of SNP locations in the form of a vcf file and outputs an optimal set of reconstructed species genomes which describes the underlying viral population. -
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MoCObench
Benchmark instances for multiobjective combinatorial optimization
Benchmark instances for multiobjective combinatorial optimization -
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LeapFrog Optimizer
Open Source Optimizing Algorithm Written in Python
name: leap frog optimizer version: 0.5 ALPHA author: Mark Redd email: redddogjr@gmail.com written for python version: 2 optimizer algorithm website: http://www.r3eda.com/ about: This optimizer was written based on the algorithm published by Dr. R. Russell Rhinehart. A full explanation of the algorithm can be found at the following URL: http://www.r3eda.com/leapfrogging-optimization-algorithm/ The following are "key references" published on the optimization website explaining the technique: - Rhinehart, R. R., M. Su, and U. Manimegalai-Sridhar, “Leapfrogging and Synoptic Leapfrogging: a new optimization approach”, Computers & Chemical Engineering, Vol. 40, 11 May 2012, pp. 67-81... -
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ProtPOS
Prediction of PROTtein Preferred Orientation on a Surface
...It searches quickly for the low energy protein poses in all translational and rotational degrees of freedom of the protein with respect to the surface using particle swarm optimization. Each successful run returns the lowest energy orientation of the protein on the surface in PDB format, which is readily used for MD simulations. ProtPOS is implemented in Python, making use of the PyMOL library for generating protein conformations and calling GROMACS externally to calculate protein-surface interaction energies. ... -
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Template Code Set for JModelica
This is a template Python code set to use JModelica easily.
...The template includes a sample model definition file (opt_definition.mop) and a .bat file (run_me.bat) to start its calculation. After download the template, immediately you can run JModelica by only double-clicking run_me.bat file, and obtain the optimization result. Please go to the page given below for the information of how to start to use this and its details. -
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This is a sophisticated & integrated simulation and analysis environment for dynamical systems models of physical systems (ODEs, DAEs, maps, and hybrid systems). It supports symbolic math, optimization, continuation, data analysis, biological apps...
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OverView
Optimization and visualization tool for CFD.
OVERVIEW is a framework for optimization that integrates the visualization of complex fluid solutions and geometries taking advantage of the high performance and cutting edge rendering techniques of modern graphic cards. -
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PyGAO
Genetic Algorithm Optimization for Python
A simple interface for performing genetic algorithm optimization for numerical problems. I am starting with a stripped-down version, where a solution can be described using a single vector of float numbers. Eventually, I will expand to more generic data structures and add multiple-species search options. For the time being, I have no plans of developing a GUI. For now, this is strictly a computational module. -
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Math tools in Python to tackle down problems in Operational Research fields. Comes with a Django based web interface to allow remote access to complex simulation means.
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caseGen
... [BATCH], [ANALYZE] and [OPTIMIZE] cases in OpenFOAM and others
'caseGen' allows you to simplify your numerical simulation problem! Actual its not fairly tested so please contact me if you see any refinements or found bugs. -
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We here present a novel computer algorithm, called AutoClickChem, capable of performing many click-chemistry reactions in silico. In silico modeling of click-chemistry products may prove useful in rational drug design and drug optimization.
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Tidal Analysis Program in PYthon (TAPPY) uses the least squares optimization function from scipy to perform a harmonic analysis (calculate amplitude and phases of a set of sine waves) of a hourly time series of water level values.
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Metaboflux is a generic approach for predicting flux distribution in metabolic networks under multiple and various constraints deducted from the experiments, to increase the biological relevance of the model.
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A Python environment for large and sparse linear and nonlinear optimization using intuitive interfaces to linear algebra tools and subproblem solvers written in low-level languages. It provides building blocks to experiment with new ideas and algorithms.
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This program generates customizable hyper-surfaces (multi-dimensional input and output) and samples data from them to be used further as benchmark for response surface modeling tasks or optimization algorithms.
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pygpr is a collection of algorithms that can be used to perform Gaussian process regression and global optimization.
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Parasol is a python framework in which mathematical models can be investigated parametrically. It enables easy optimization, sensitivity study, and visualization. Output is in plain text, HTML, and Microsoft Suite files (Excel, Word and PowerPoint).
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The Automatic Model Optimization Reference Implementation, AMORI, is a framework that integrates the modelling and the optimization processes by providing a plug-in interface for both. A genetic algorithm and Markov simulations are currently implemented.
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PAIDA is pure Python scientific analysis package and supports AIDA (Abstract Interfaces for Data Analysis). PAIDA can create/plot histograms and functions etc. The parameter optimization and its error evaluation are also supported. Can use with Jython!
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PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.
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pySPACE
Signal Processing and Classification Environment in Python using YAML
pySPACE is a modular software for processing of large data streams that has been specifically designed to enable distributed execution and empirical evaluation of signal processing chains. Various signal processing algorithms (so called nodes) are available within the software, from finite impulse response filters over data-dependent spatial filters (e.g. CSP, xDAWN) to established classifiers (e.g. SVM, LDA). pySPACE incorporates the concept of node and node chains of the MDP framework. Due...