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STONED-SELFIES

This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES.

Prerequisites:

For cloning the repository, please have a look at the Branch Navigator section.

Before running the code, please ensure you have the following:

Experiment Navigator:

Questions, problems?

Make a github issue 😄. Please be as clear and descriptive as possible. Please feel free to reach out in person: (akshat[DOT]nigam[AT]mail[DOT]utoronto[DOT]ca)

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