Search Results for "open-shell" - Page 34
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Showing 2179 open source projects for "open-shell"
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pymatlab
A pythonic interface to MATLAB
This package lets Python users interface and communicate with MATLAB from Python. Pymatlab makes it easier for users to integrate a project with a large MATLAB codebase into python scripts by using MATLAB scripts as a part of the python program. The basic functionality of this package is to send data from Python to MATLAB's workspace to be able to run Matlab function on the data. After processing you retrieve back data to... -
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Galactus
A neutral hydrogen galaxy modeling and fitting tool
Galactus is a new astronomical modeling package. The aim is to model and fit datacubes from radio synthesis telescopes. Galactus is the only HI tool which can predict the HI (self-)absorption. -
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AbMining ToolBox
python scripts to analyze antibody libraries
02-14-2014. Hamming distance calculation has been updated. These are python scripts to analyze antibody libraries sequenced by next generation sequencing methods (454, Ion Torrent, MiSeq) as described in D'Angelo et al MAbs. 2014 Jan 1;6(1):160-72. -
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wfProc is going to be a Python module for waveform processing. The module will incude simple operations such as addition, subtraction etc, taking into account the timeline of the waveform, as well as filtering, fft and other more complex operations.
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allink
Software for data analysis, image processing, simulations, solver.
Collection of utilities based on two basics classes: Matematica and VarData. Matematica) performs math operations on vectors and matrices for smoothing, interpolation, convolution, image processing... VarData) manipulate a structure of points connected by links. Addraw) openGL engine. ElPoly) analyze mechanical properties of polymer and membrane like structures. Addyn) perform molecular dynamics and Monte Carlo simulations and has a solver for 4th oder PDE. Avvis) perform all the... -
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DiagSim
Diagnostics simulation for particle accelerators
DiagSim is a collection of Python modules for simulating beam diagnostics in particle accelerators, at the moment only cavity BPMs, with other types of BPMs and other diagnostics to follow. Or so we think. Anyway, we use beam data exported from beam trackers, trace the signals through the diagnostics and processing, so that they can be processed as real data, and the input and measured beam parameters can be compared. -
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CDPOPgui
GUI Frontend for CDPOP
CDPOPgui is a GUI Frontend for CDPOP What is CDPOP? CDPOP (Cost Distance POPulations) is a spatially-explicit simulator of gene-flow in complex landscapes to explain observed population responses and provide a foundation for landscape genetics. The program implements individual-based population modeling with Mendelian inheritance on a resistant landscape. Simulation begins with an initial homogeneous population and followed by divergence through time as functions of individual based... -
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Selective Assembly GUI Application
ZEMAX extension for selective assembly
As the final step of manufacturing, assembly plays a very important role. During lens assembly, fabrication errors of components are summarized and dramatically affects lens performance. Selective assembly is cost-effective solution for improving the quality of assembled product. Also selective assembly could reduce cost of product by allowing loose tolerances. Selective Assembly GUI Application (SAGA) is ZEMAX extension which allows you to arrange components in best possible assemblies. -
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labhamster
simple tracking of laboratory purchases and materials
Note: This project has been migrated to: https://github.com/graik/labhamster Labhamster is a simple Django project for tracking materials and reagants ordered for a scientific laboratory and offers a rudimentary inventory management. For now it is not much more than the out-of-the-box Django admin interface with a pretty standard data model. -
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ADDA is a software package for finding domains in protein sequences. ADDA has moved to github (https://github.com/AndreasHeger/adda)
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ktree
clustering, machine learning, algorithms
This project has moved to github at http://lmwtree.devries.ninja. -
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tigreBrowser is a web-based browser for ranking results from R/Bioconductor package tigre and similar tools. It allows easy viewing, sorting and filtering of visualisations of models produced by tigre.
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pyUSV
Ultrasonic Speckle Velocimetry
Treat output from ultrasound transducer(s) in order to obtain local velocities in a (complex) fluid ; and further analysis. -
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pyBallistics is a graphical small arms ballistics program used to calculate ballistic coefficients, and model bullet trajectories. Future improvements will be a reloading database, and web links to industry reloading data.
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Quantum Chemistry Import Tool is a django application that parses the output file of quantum chemistry software as NWChem, Octopus, Gaussian, etc. The result can be saved in relational database.
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MaryGold
Variation analysis of metagenomic samples
The package enables detection of sequence variation between metagenomic samples. -
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We aim to develop a transformative computational method for automatic discovery of a set of dynamical rules that best captures both state transition and topological transformation in the data of spatio-temporal evolution of a complex network.
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biomasfor
GIS GRASS extension to assess the exploitability of forest biomass
A GIS GRASS extension to assess the exploitability of forest biomass residues take in to account different (ground and cable) harvesting techniques. -
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Event based simulator that allow to yield from nested function. Implemented using greenlet and standard thread python library.
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dna-barcode
Find and analyze barcodes in DNA sequence files
Find and analyze barcodes in DNA sequence files -
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Ellipt2d is a finite element program for solving second order, real and complex, two-dimensional elliptic problems with user-defined operators. Because Ellipt2d is written in Python, the code can easily be adapted for specific problems.
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Language Constructor
Complete tool for constructing/manipulating languages in digital form
With this tool you can easily design a new language, digitize an existing one or incrementally reconstruct an ancient language. It allows for free experimentation of all aspects of the language, so it does not have to be made consistent on paper first. You can edit script, syntax, grammar, morphology, lexicon and phonology, as well as write documents in the language, as it might be too complex to be handled by current font technology. The information is stored in xml format for easy... -
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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. In addition to the standard Python libraries, PyGAO uses numpy.
