CRP - Chemical Reaction Prediction download

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).

Features

Cheminformatics
Neural Networks
NLP
Deep Learning
Python
Qt
SMILES

Project Samples

Project Activity

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License

MIT License

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Additional Project Details

Operating Systems

Linux, Windows

User Interface

Programming Language

Python

Related Categories

Python Chemistry Software, Python Machine Learning Software, Python Deep Learning Frameworks, Python Natural Language Processing (NLP) Tool

Registered

2018-07-12

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