Showing 66 open source projects for "/arm-elf-tools-20030314.sh"

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  • 1
    DWSIM - Open Source Process Simulator

    DWSIM - Open Source Process Simulator

    Simulate chemical processes using advanced thermodynamic models

    DWSIM is an open source, CAPE-OPEN compliant chemical process simulator for Windows, Linux and macOS systems. Written in VB.NET and C#, DWSIM features a comprehensive set of unit operations, advanced thermodynamic models, support for reacting systems, petroleum characterization tools and a fully-featured graphical interface. DWSIM Pro is a commercial sibling of DWSIM built on top of open-source software. It offers extended features, comes with private support, and is accessible in the cloud...
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    Downloads: 2,995 This Week
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  • 2
    PyMca
    Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided.
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    Downloads: 100 This Week
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  • 3
    The Sashimi project hosts the Trans-Proteomic Pipeline (TPP), a mature suite of tools for mass-spec (MS, MS/MS) based proteomics: statistical validation, quantitation, visualization, and converters from raw MS data to the open mzML/mzXML formats.
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    Downloads: 31 This Week
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  • 4
    PyNanoLab

    PyNanoLab

    data analysis and Visualization with matplotlib

    PyNanoLab contains a variety of tools to complete the data analysis, statistics, curve fitting, and basic machine learning application. Visualization in pynanolab is based on matplotlib. The setup tools is desinged to control and set-up all the details of the figure with a GUI.
    Downloads: 7 This Week
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  • 5
    mzMatch is a Java collection of small commandline tools specific for metabolomics MS data analysis. The tools are built on top of the PeakML core library, providing mass spectrometry specific functionality and access to the PeakML file format.
    Downloads: 7 This Week
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  • 6
    AMBIT:Chemical Structure DB&Web Service

    AMBIT:Chemical Structure DB&Web Service

    Chemical structures database & machine learning with web services API

    AMBIT offers a cheminformatics data management for chemical substances, structures and nanomaterials. Flexible structure, similarity and study queries storage, descriptor calculation and predictive models building via REST web services.User interface for creating read across assessment and generating reports, aligned with regulatory and industrial requirements. Command line applications also available. Integration with third party tools and databases.
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    Downloads: 5 This Week
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  • 7

    pharmit

    Open-source online virtual screening tools for large databases

    Downloads: 0 This Week
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  • 8
    A small collection of tools for organizing references in scientific work - cooperates with BibTeX.
    Downloads: 0 This Week
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  • 9
    Raman Tool Set

    Raman Tool Set

    Analysis of Raman spectra and spectroscopy data.

    Raman Tool Set has been developed as a user-friendly free software for processing and analysis of Raman spectra and spectroscopy data. RamanToolSet offers the following functions for processing: - scaling spectra - offset spectra - cut spectra - averaging spectra - smoothing spectra - normalizing spectra - background subtraction - polynomial subtraction The following analytical tools have been implemented: - Principal Component Analysis (PCA) - Clustering analysis - Extended Multiplicative...
    Downloads: 22 This Week
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    RMM Software | Remote Monitoring Platform and Tools

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  • 10

    The Chemicals Database

    An Open Source "product catalogue" that is customizable and versatile.

    The Chemicals Database is a simple yet effective approach to track a stock of products. It provides a "product catalogue" that is accessible from any workplace over Intranet (http) and the server can be operated "in the cloud". Although this documentation deals in particular with a stock of chemicals in a laboratory, it can easily be adapted to any other "items" such as samples, spare parts, tools and other inventory. The software does not rely on a proprietary "solution" but employs standard...
    Downloads: 0 This Week
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  • 11
    The Analyses Database is a collection of software to archive and to track rawdata files from analytical instruments. The system is set up using freely accessible tools - MySQL, apache, PHP, Linux. Several utilities for MS Windows are provided.
    Downloads: 0 This Week
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  • 12
     VASPMO

    VASPMO

    Visualization of wavefunctions calculated by VASP (New release: v0.41)

    VASPMO aims at visualizing wavefunctions (or molecular orbitals) from VASP calculations. It reads VASP's output files PROCAR and CONTCAR, and exports an *.out file in Gaussian's output format, which can be visualized by many popular visualization tools, such as JMol, Molekel, Chemcraft, Gabedit and Molden, etc. These tools can further generate *.cube files, which can be visualized by an even wider range of softwares. 读入VASP计算得到的PROCAR和CONTCAR文件,输出Gaussian结果文件。该文件能够被常用的量子化学可视化软件(如Molekel...
    Downloads: 4 This Week
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  • 13
    VMS Draw

    VMS Draw

    user-friendly access to the latest computational spectroscopy tools

    VMS Draw provides general utilities (e.g. normalization, conversion, and other manipulations of several spectra at the same time) and a flexible graphical user interface (GUI) for an easy use by non-specialists which allows a seamless flow of information between experimentally and theoretically oriented researchers. Finally, it permits effective interactions with other electronic structure codes [e.g., nuclear magnetic resonance (NMR), microwave] even if Gaussian 16 offers the widest set...
    Downloads: 1 This Week
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  • 14
    Cantera
    Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.
    Downloads: 26 This Week
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  • 15
    Tools for analysis of multiwavelength anomalous diffraction data collected on synchrotron beamlines, more specifically developed for grazing incidence diffraction on nanostructures.
    Downloads: 0 This Week
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  • 16
    SDF or Structures Data File is a file format developed by MDL to handle a list of molecular structures with associated properties. The SDF toolkit provides small tools to read and parse SDFs, filter, and add/remove properties.
    Downloads: 0 This Week
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  • 17
    Mass-Up

    Mass-Up

    MALDI-TOF data analysis tool

    Mass-Up is an Open-Source mass spectrometry utility for proteomics designed to support the preprocessing and analysis of MALDI-TOF mass spectrometry data. Mass-Up includes several tools and operations to load, preprocess and analyze MALDI-TOF data.
    Downloads: 1 This Week
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  • 18
    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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    Downloads: 1 This Week
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  • 19
    Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.
    Downloads: 0 This Week
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  • 20

    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...
    Downloads: 0 This Week
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  • 21

    BioPPSy

    A biochemical property prediction system

    Computationally predicts the pharmacokinetic properties of drug candidates using Quantitative Structure Property Relationships (QSPR) modelling. Assembles a set of tools and databases for predicting the physical properties of small molecules. The program models a given property's dependence on a collection of molecular and structural descriptors using a training set of molecules. Neural networks and support vector regression are available, as well as linear models. The models generated...
    Downloads: 0 This Week
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  • 22
    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: 0 This Week
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  • 23

    Collaborative Computing Project for NMR

    Collaborative Computing Project for NMR (CCPN)

    The Collaborative Computational Project for NMR (CCPN) provides tools and knowledge to maximise the impact of the biological NMR studies. The CCPN software facilitates data analysis and software integration. The project actively promotes the exchange of knowledge and provides training and best practices for the NMR community. CCPN also has a leading role in the development of a NMR data-sharing standard and coordination of NMR instrumentation proposals for RCUK and BIS. The 28 partners of CCPN...
    Downloads: 0 This Week
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  • 24

    In silico fragmentation evaluation

    Comparative analysis of open source in silico fragmentation tools

    We compared the performance of four publicly available in silico fragmentation tools that help in structure elucidation of metabolites (MetFrag, CFM-ID, MAGMa+ and MS-FINDER). Using the output of these tools we developed a voting/consensus model which is combining, re-ordering and re-ranking the candidates file and increases the correct hit percentage. We used 520 compounds from the 2016 CASMI challenge with 312 compounds for training and 208 compounds for validation purposes.
    Downloads: 1 This Week
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  • 25
    Avogadro

    Avogadro

    An intuitive molecular editor and visualization tool

    Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture.
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    Downloads: 4,503 This Week
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