Showing 8 open source projects for "python programming language"

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  • 1
    labman2

    labman2

    A web database for experimental results of research

    A database with a web interface for storing the experimental results of research, aimed at ease of adding new types of data. Goal is to make adding as simple as one day for an unexperienced in programming scientist to add a new type of data similar to an existing type, by preparing two - three files analogues to the existing ones. An experienced programmer should need only one day to one week for adding a totally new kind of data like arrays with more dimensions that was available before.
    Downloads: 0 This Week
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  • 2

    CRP - Chemical Reaction Prediction

    Predicting Organic Reactions using Neural Networks.

    The intend is to solve the forward-reaction prediction problem, where the reactants are known and the interest is in generating the reaction products using Deep learning. This Graphical User Interface takes simplified molecular-input line-entry system (SMILES) as an input and generates the product SMILE & molecule. Beam search is used in Version 2, to generate top 5 predictions. Maximum input length for the model is 15 (excluding spaces).
    Downloads: 0 This Week
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  • 3
    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...
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  • 4
    Jamberoo (former JMolEditor) is a library of algorithms for structural Computational Chemistry implemented in the Java programming language. The Jamberoo classes can be integrated into other Java applications.
    Downloads: 0 This Week
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  • 5

    Larch: Data Analysis for X-ray Spectra

    Data Processing and Analysis for X-ray Spectroscopy and More

    ...Larch is written in Python and relies heavily on the standard tools for scientific computing with Python (numpy, scipy, matplotlib, and h5py).
    Downloads: 0 This Week
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  • 6

    TeachingDemos

    Bioinformatics related demos and tutorials using the R programming lan

    Bioinformatics related demos and tutorials using the R programming language for large biological data. Licence: Creative Commons Attribution-NonCommercial 4.0 International License
    Downloads: 0 This Week
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  • 7
    pyisocalc

    pyisocalc

    Isotopic pattern calculator in python 2.x

    This is an isotopic pattern calculator written in python. It depends on re, sys, numpy, operator, itertools, and matplotlib.
    Downloads: 0 This Week
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  • 8
    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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