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Using chemical SELFIES strings and Protein Sequences to model DTI

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SELFSeq

A sophisticated AI-driven approach to generating molecular structures from protein sequences.

Overview

SELFSeq integrates bioinformatics, cheminformatics, and deep learning to predictively generate molecular structures in SELFIES format based on given protein sequences. This project aims to bridge the gap between sequence data analysis and practical molecular generation, fostering innovation in drug discovery.

Setup

To set up the project environment:

  1. Install Python 3.8+ and pip.
  2. Clone the repository and navigate to the project directory.
  3. Install the required dependencies with pip install -r requirements.txt.

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Using chemical SELFIES strings and Protein Sequences to model DTI

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