Search Results for "linux distribution"
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Showing 25 open source projects for "linux distribution"
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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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pyisocalc
Isotopic pattern calculator in python 3.x
An isotopic pattern calculator written in Python 3. Given a chemical formula, it calculates the full isotopic distribution and simulates a mass spectrum. Dependencies: Python 3.6+, numpy, matplotlib, tkinter. The old python 2.x code has been updated and given a GUI. It's also a lot faster now. -
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GromacsProSuite
Graphical User Interface for Gromacs
This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure... -
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GrainSizeTools script
A Python script for estimating the grain size from thin sections
Homepage & docs: http://marcoalopez.github.io/GrainSizeTools/ GrainSizeTools is a free, open-source, cross-platform script written in Python that provides several tools for (1) estimating average grain size in polycrystalline materials, (2) characterizing the nature of the distribution of grain sizes (either from apparent distributions or approximating 3D grain size distributions via stereology), and estimating differential stress via paleopizometers. The script requires as the input the... -
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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 of... -
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aioulinux
Linux for Arduino and Makers developers
...Marketing Professional: Skilled in marketing to promote and fundraise, with campaign experience. Graphic Designer: Talented individual for the style and layout of the user-friendly Aioulinux. Passionate about IoT and Arduino? Contribute to a secure Linux distribution. Let's collaborate and bring the new Aioulinux to life in 2024! Ready for a project recognized worldwide? Contact me. Let's make a mark together! Today, our distribution includes the following items: =================== -
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Construct2D
COmputational fluid dyNamics STRUctured grid CreaTor for 2D airfoils
Construct2D is a grid generator designed to create 2D grids for CFD computations on airfoils. The grids are generated in Plot3D format. The only required input file is the set of coordinates defining the airfoil geometry, using the same format as XFoil, the popular vortex-panel code for airfoil analysis. Construct2D can create grids with O topology (recommended for airfoils with a blunt trailing edge) or C topology (recommended for airfoils with a sharp trailing edge). Now available in... -
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DCMLinux - Dicom Linux Distribution
Dicom PACS solution for free.
DCMLinux is a complete PACS system, free of charge. Its core is an Ubuntu 14.04 system fully updated and it contains the DCM4CHEE as its PACS server. In the near future it will contain many other addons such as Weasis, Oviyam, Care2x, etc. Just download the iso, burn it to a CD and boot it up. No need to configure any files of dcm4chee, DCMLinux installer asks for everything it needs to configure a running PACS in minutes. Project Wiki : http://wiki.dcmlinux.org Project Forums:... -
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RDKit
Open-Source Cheminformatics and Machine Learning
A collection of cheminformatics and machine-learning software written in C++ and Python. NOTE: the RDKit source code and downloads are now in github: https://github.com/rdkit/rdkit The core algorithms and data structures are written in C++. Wrappers are provided to use the toolkit from either Python or Java. Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and... -
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openModeller is a complete C++ framework for species potential distribution modelling. The project also includes a graphical user interface, a web service interface and an API for Python.
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That project aims at providing a clean API and a simple implementation, as a C++ library, of a Travel-oriented Distribution System. It corresponds to the simulated version of the real-world Computerized Reservation Systems (CRS).
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PyCancerDB
Cancer Proteomics Database display and management
PyCancerDB is a source code distribution providing a Web-based interface for browsing and updating the Cancer Proteomics Database, together with scripts for maintaining the database. -
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PhyloTrack
PhyloTrack, D3.js and JBrowse for phylogeny and positioning of samples
PhyloTrack is a JavaScript--based software tool that integrates the D3.js library for data visualization with the JBrowse tool for genome browser representation. It requires a phylogenetic tree of the common Newick data format as input, as well as three meta data files for samples, clade-defining nodes and clade color definitions - all in tab delimited format. Functionality within PhyloTrack shows the informative markers at each node in the phylogenetic tree, therefore highlighting... -
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Alchemy Linux
A linux distribution for chemists
Alchemy Linux is a Linux distribution (based on Fedora) for chemists (and mathematicians and physicists). This remix comes with a whole set of packages to help with experiments, simulations and publications. (This project is not maintained or endorsed by Red Hat or the Fedora project). -
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DeDAY
MLE survival analysis: Gompertz, Weibull, Logistic and mixed morality.
DeDAY (Demography Data Analyses) is a tool of analyzing demography data. It supports Gompertz, Weibull and Logistic distributions. DeDay also supports mixed mortality models based on these distribution such as the Gompertz-Makeham distribution. Distributions such as Gompertz describes only age-dependent mortality, which increases over time. Mixed mortality models, such as in Gompertz-Makeham distribution, consider a more general case where mortality is consist of both age-dependent and... -
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LibVsg is a 2D/3D software library with a focus on basic geometric manipulations. It's released under the GNU LGPL. Written for C, it provides support for single and double precision arithmetics. A Python wrapper also comes with the distribution.
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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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Java based multi-agent platform built on an organizational model (agent, group, role). MadKit provides general agent facilities (lifecycle management, message passing, distribution, ...), and allows high heterogeneity in agents.
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This project hosts tools used for analysis of Gaussian Mixture Distributions (GMDs) which are used for statistical signal processing. The tools are libraries for implementing GMD operations and programs used to analyze properties of GMDs.
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BASILISK is a probabilistic model of the conformational space of amino acid side chains in proteins. Unlike rotamer libraries, BASILISK models the chi angles in continuous space, including the influence of the protein's backbone.
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A windrose, also know as polar rose plot, is a special diagram for representing the distribution of meteorological datas, typically wind speeds by class and direction.
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GyVe (GalaxY ViEwer) is a visualization program for understanding the distribution of galaxies and clusters of galaxies.
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Chartshare is a computer based system for the production, analysis, and distribution of Standard Celeration Charts (http://www.celeration.org).
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Distributions Networks Analyzer (DNA) is a tool for simulating (power flow) and analyzing electrical distribution networks. Users can easily implement and test their own power flow, optimal power flow and control algorithms.
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The LisBON Framework is an adaptable framework for developing new parallel Memetic Algorithms (hybrid search algorithms for efficiently solving optimisation problems).
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