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  • 1

    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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  • 2

    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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  • 3
    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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  • 4
    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.
    1 Review
    Downloads: 0 This Week
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