Showing 34 open source projects for "google-visualization-python"

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    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: 26 This Week
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  • 2
    atomes

    atomes

    Analysis, visualization, edition of 3D atomic scale models

    atomes is a Free (Open Source) cross-platform software licensed under the terms of the Affero GPL v3+ license. atomes is a toolbox developed to analyze, to visualize and to create/edit 3D atomic scale models. atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: - Classical MD : DL-POLY and LAMMPS - ab-initio MD : CPMD and CP2K - QM-MM MD : CPMD and CP2K atomes is developed by Dr. Sébastien Le Roux, research...
    Downloads: 7 This Week
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  • 3
    luscus

    luscus

    molecular editor and viewer

    Luscus is the program for graphical display and editing of molecular systems. The program allows fast and easy building and/or editing different molecular structures, up to several thousands of atoms large. Luscus can also visualize dipole moments, normal modes, molecular orbitals, electron densities and electrostatic potentials. In addition, simple geometrical objects can be rendered in order to point out a geometrical feature or a physical quantity. The program is developed as a graphical...
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    Downloads: 16 This Week
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  • 4
    Facyt-quimicomp
    Software and codes created in "Laboratorio de Química Computacional" of "Facultad de Ciencias y Tecnología" of "Universidad de Carabobo"
    Downloads: 3 This Week
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  • 5
    electronic structure calculations with tight-binding density functional theory
    Downloads: 0 This Week
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  • 6
    relax

    relax

    Molecular dynamics by NMR data analysis

    The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using...
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    Downloads: 8 This Week
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  • 7
    Charmol

    Charmol

    Program for molecular graphics

    Charmol is a cross-platform GUI/command-line based program for making high-quality pictures of molecular structures, nowadays working on Linux, MacOS and Windows. As output, it produces POV-Ray rendered images or files in VRML format. Charmol is capable of making pictures containing: - from small- to large-size molecules - more molecules together (different settings possible) - orbitals using molden and fchk files (GTO functions up to 'h' angular momentum supported) -...
    Downloads: 0 This Week
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  • 8
    Kekule

    Kekule

    Kekule is a molecular visualization app for the 64-bit Windows

    Kekule is a fork of Roger Sayle's old 16-bit Windows 3.1 RasMol 2.6 app, last updated and released in 1995. Kekule is meant to aid high school and college chemistry students in their organic and inorganic chemistry studies by allowing you to visualize molecules in 3 dimensions on your laptops. This will greatly increase a chemistry student's understanding of molecules and their structures.
    Downloads: 0 This Week
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  • 9
    ASALI

    ASALI

    ASALI is an open-source code for chemical engineers

    Do you work with chemical reactors? Are you curious about them? ASALI is the open-source code that you are looking for. Chemical reactor models, transport/thermodynamic properties of gases, equilibrium calculations. ASALI couples all these features with an user friendly graphical interface. Modeling chemical reactors has never been so easy.
    Downloads: 1 This Week
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  • 10
    Pysces

    Pysces

    PySCeS is the Python Simulator of Cellular Systems

    PySCeS is the Python Simulator of Cellular Systems. For a network of coupled reactions it does a stoichiometric matrix analysis, calculates the time course and steady state, and does a complete control analysis.
    Downloads: 0 This Week
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  • 11
    MSGraph is a program designed for the interactive, fast, qualitative analysis of mass spectrometric (MS) data. It is a tool to provide fast and simple access to all the information contained in an LC/MS analysis run.
    Downloads: 0 This Week
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  • 12
    cdfread is a program for people wirking with mass spectrometry datasets. cdfread implements the routines to read mass spectra and mass chromatograms from data files in netCDF ("Andi-MS") format. Centroid and profile data are supported.
    Downloads: 0 This Week
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  • 13
     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、Chemcraft、Gabedit、Molden和JMol等)读取,进而绘制和观看体系的分子轨道。有些软件还能导出 cube文件(如Chemcraft和Molden等),从而又能被很多支持cube格式文件的可视化软件所识别。
    Downloads: 0 This Week
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  • 14
    Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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    Downloads: 151 This Week
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  • 15
    APBS

    APBS

    Biomolecular electrostatics software

    This software has moved to http://www.poissonboltzmann.org/.
    Downloads: 0 This Week
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  • 16

    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...
    Downloads: 0 This Week
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  • 17

    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...
    Downloads: 0 This Week
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  • 18
    STochastic Engine for Pathway Simulation
    Stochastic simulator for signaling pathways occuring in biological cells. Handles reaction-diffusion processes in 3D tetrahedral meshes. Please check our new repository: https://github.com/CNS-OIST/STEPS
    Downloads: 1 This Week
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  • 19

    f90lafg

    Diffraction related calculations in Fortran 2003

    full snapshots of CRYSFML code and parts of SXTALSOFT code
    Downloads: 0 This Week
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  • 20
    MDDriver
    [OBSOLETE, check Github repository: https://github.com/LBT-CNRS/MDDriver) MDDriver is a library allowing a user to easily couple molecular visualisation tools with simulation code through a network. It allows to carry out interactive molecular dynamics, visualize simulation results and drive a simulation in interactive time.
    Downloads: 0 This Week
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  • 21
    Free and portable software for visualization and post-processing of results from Quantum Chemistry calculations. Oriented, but not limited, to satisfy the visualization needs from Lowdin [http://www.cucei.udg.mx/~robertof] and deMon2k.
    Downloads: 0 This Week
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  • 22
    ASCEND modelling environment
    ASCEND is a modelling environment and solver for large or small systems of non-linear equations, for use in engineering, thermodynamics, chemistry, physics, mathematics and biology. Solvers for both steady and dynamic (NLA & DAE) problems, are provid
    Downloads: 42 This Week
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  • 23
    ParaSim

    ParaSim

    Parallelized calculation of molecular similarities

    Diversity assessments and comparisons of large compound databases require calculating similarities of millions of compounds in an affordable time. ParaSim addresses this challenge by parallelizing the calculations according to the number of computing cores available on a single machine. It is optimized for the throughput of very large numbers of query structures against very large numbers of reference structures. As as special feature, ParaSim allows to store and and to access frequently...
    Downloads: 0 This Week
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  • 24
    Burrow-owl is a software package for visualizing multidimensional nuclear magnetic resonance (NMR) spectra, with an emphasis on spectra used in macromolecular structure determination.
    Downloads: 0 This Week
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  • 25
    cca-forum
    Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
    Downloads: 0 This Week
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