Showing 3 open source projects for "python molecular"

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    eProcurement Software

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  • 1
    DeepChem

    DeepChem

    Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, etc

    ...All tutorials are designed to be run on Google collab (or locally if you prefer). Tutorials are arranged in a suggested learning sequence that will take you from beginner to proficient at molecular machine learning and computational biology more broadly.
    Downloads: 0 This Week
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  • 2
    Spektral

    Spektral

    Graph Neural Networks with Keras and Tensorflow 2

    Spektral is a Python library for graph deep learning, based on the Keras API and TensorFlow 2. The main goal of this project is to provide a simple but flexible framework for creating graph neural networks (GNNs). You can use Spektral for classifying the users of a social network, predicting molecular properties, generating new graphs with GANs, clustering nodes, predicting links, and any other task where data is described by graphs.
    Downloads: 0 This Week
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  • 3

    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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