ManzoorElahi/organic-chemistry-reaction-prediction-using-NMT
organic chemistry reaction prediction using NMT with Attention
This project helps organic chemists predict the products of chemical reactions. You input the starting reactants in SMILES format, and it outputs the predicted product also in SMILES format. This is useful for researchers and students in organic chemistry who need to quickly determine reaction outcomes.
No commits in the last 6 months.
Use this if you are an organic chemist who needs to predict the products of forward chemical reactions from known reactants.
Not ideal if you are looking for a tool to design reactants to achieve a specific product (retrosynthesis) or if you need to understand reaction mechanisms.
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Language
Python
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Last pushed
Nov 07, 2018
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