Showing 15 open source projects for "software without code"

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  • 1
    BioXTAS RAW

    BioXTAS RAW

    Processing and analysis of Small Angle X-ray Scattering (SAXS) data.

    ...Active source code is now maintained on github: https://github.com/jbhopkins/bioxtasraw To install: Check the instructions available at: http://bioxtas-raw.readthedocs.io/en/latest/install.html and in the Files tab. User guides: RAW guides are available at: http://bioxtas-raw.readthedocs.io/ and in the Files tab. To contact us, see: https://bioxtas-raw.readthedocs.io/en/latest/help.html
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    Downloads: 87 This Week
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  • 2
    CAMPARI

    CAMPARI

    Software for molecular simulations and trajectory analysis

    We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and...
    Downloads: 4 This Week
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  • 3

    GrowthRates

    Calculate growth rates from microplate reader output

    The Bellingham Research Institute (BRI) develops and distributes software that is free of charge to academic and other non-profit organizations. GrowthRates is our software tool that simplifies the analysis of microplate reader output from microbial growth experiments without having to program in Python, R, or MATLAB. It automates the calculation of growth rate parameters, including rates, lag times, maximum population density.
    Downloads: 4 This Week
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  • 4

    GenForm

    Generation of molecular formulas by high-resolution MS and MS/MS data

    ...Zhang, A. Muller: MS/MS Data Improves Automated Determination of Molecular Formulas by Mass Spectrometry. MATCH Commun. Math. Comput. Chem. 65, 259-290, 2011. The software user manual is available here: https://www.researchgate.net/publication/307964728_MOLGEN-MSMS_Software_User_Manual Example MS and MS/MS data files for GenForm can be downloaded here: https://sourceforge.net/p/genform/code/HEAD/tree/trunk/data/ A first program call could look like this: GenForm ms=SinapinicAcidMs.txt msms=SinapinicAcidMsMs.txt exist out
    Downloads: 0 This Week
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  • 5
    WaveTrain (Python)

    WaveTrain (Python)

    Quantum dynamics of chain-like systems using tensor train formats

    WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only (with or without periodic boundary conditions). This Python package is centered around tensor train (TT, or matrix product) representations of quantum-mechanical Hamiltonian operators and (stationary or time-evolving) state vectors.
    Downloads: 0 This Week
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  • 6

    HostDesigner

    General purpose de novo molecular design software

    Although many potential applications exist in chemistry and material science, software to allow the general application of de novo structure-based design methods in supramolecular chemistry was non-existent. To address this limitation we created HostDesigner, a code that builds and evaluates millions of molecules in minutes. This command line executable builds 3D molecular structures by covalently connecting user-defined input fragments with pre-computed hydrocarbon fragments from a library. ...
    Downloads: 0 This Week
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  • 7
    chemfiles

    chemfiles

    Modern library for chemistry file reading and writing

    Chemfiles is a modern and high-quality library for reading and writing trajectory files created by computational chemistry simulations program. These trajectories contains atomic positions, velocities, names, topology and sometimes more. Running simulations produce enormous amounts of data, which has to be post-processed to extract physical information about the simulated system. Chemfiles provides an interface to access this information which is - unified: the same code will work with...
    Downloads: 0 This Week
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  • 8
    multiplierz
    Open-source Python software library and GUI desktop environment for direct bioinformatic analysis of mass-spectrometry data through powerful scripting tools and interfaces to many machine data formats, database search engines, and peptide data formats. For a copy of the source code, check out our Github repositories: mzDesktop: https://github.com/MaxAlex/mzDesktop multiplierz: https://github.com/MaxAlex/multiplierz
    Downloads: 2 This Week
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  • 9
    RDKit

    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 similarity searches.
    Downloads: 5 This Week
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  • 10
    DNA patterns & application

    DNA patterns & application

    A software for generating DNA patterns

    The DNA pattern represents a new method of analysis for DNA sequences. In general it can easily detect relationships among species over the evolutionary landscape. Largely, in bioinformatics the DNA pattern method is unexplored and many discoveries can be made through it. One of the questions to which an answer was given is: How many types of promoters are out there regulating the genes ? It seems that there are 10 types of promoters. The project also contains 20,000 images (DNA...
    Downloads: 0 This Week
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  • 11
    RANGE: produce random genetic transcription networks in the NEMO language, which when compiled outputs models in Systems Biology Markup Language. Generate synthetic microarray data, or use NEMO alone to SBML-ize a network, or visualize it in cytoscape.
    Downloads: 2 This Week
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  • 12

    IQuant

    A pipeline for quantitative proteomics based upon isobaric tags

    ...IQuant can run from a graphical user interface (GUI) as well as a command-line interface and work with both Windows and Linux system. This website contains the IQuant software, an example data labeled by iTRAQ-8plex for testing and a user's manual. If you have any question about IQuant, please contact me: wenbo@genomics.cn. The source code of IQuant can be found here "https://sourceforge.net/p/iquant/code/".
    Downloads: 1 This Week
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  • 13
    SPADE

    SPADE

    A toolkit for developing and deploying protein structure algorithms.

    The Structural Proteomics Application Development Environment is a Python tool kit for developing and deploying bioinformatics applications. Handles graphics, analysis, and modeling of protein sequence and structure. Source and Win installers available. SPADE source code can be cloned from http://www.github.com/deaconjs/SPADE.
    Downloads: 1 This Week
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  • 14

    SIMtoEXP

    For comparison of simulation and experimental scattering data

    ...The software was originally developed by Norbert Kucerka. The code has been tested on OpenSUSE and Ubuntu (both binary and compilation); Windows and Mac are not officially supported, see the 'Notes' in the tar. PLEASE READ THE WIKI FOR THE MOST UP-TO-DATE INFORMATION - there have been major bug fixes recently.
    Downloads: 0 This Week
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  • 15
    MOLGENIS can be used to generate databases for life science experiments (micrroarray, mass spectrometry, genomics) having a web user interface, csv exchange format, and programmatic interfaces (web services, rest, and r-project). See NatRevGen 8.
    Downloads: 0 This Week
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