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albertbou92 committed Aug 6, 2024
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![license](https://img.shields.io/badge/license-MIT-blue)
[![tutorials](https://img.shields.io/badge/tutorials-available-brightgreen)](https://github.com/Acellera/acegen-open/tree/main/tutorials)
![python](https://img.shields.io/badge/python-3.9%20|%203.10%20|%203.11-blue)
[![arXiv](https://img.shields.io/badge/arXiv-<arXiv_ID>-blue)](https://arxiv.org/abs/2405.04657)
[![JCIM](https://img.shields.io/badge/JCIM-DOI-blue)](https://pubs.acs.org/doi/abs/10.1021/acs.jcim.4c00895)

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## Overview

ACEGEN is a comprehensive toolkit designed to leverage reinforcement learning (RL) techniques for generative chemistry tasks, particularly in drug design. ACEGEN harnesses the capabilities of TorchRL, a modern library for general decision-making tasks, to provide a flexible and integrated solution for generative drug design challenges.

The full paper can be found [here](https://pubs.acs.org/doi/abs/10.1021/acs.jcim.4c00895).

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## Key Features
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