Search Results for "reaction"
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Showing 2 open source projects for "reaction"
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Catalyst
Accelerated deep learning R&D
... something totally new. Catalyst is compatible with Python 3.6+. PyTorch 1.1+, and has been tested on Ubuntu 16.04/18.04/20.04, macOS 10.15, Windows 10 and Windows Subsystem for Linux. It's part of the PyTorch Ecosystem, as well as the Catalyst Ecosystem which includes Alchemy (experiments logging & visualization) and Reaction (convenient deep learning models serving). -
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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).
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