mrl-pypi 0.0.3

Molecular reinforcement learning

Molecular Reinforcement Learning

Unlocking reinforcement learning for drug design

MRL is an open source python library designed to unlock the potential of drug design with reinforcement learning.

MRL bridges the gap between generative models and practical drug discovery by enabling fine-tuned control over chemical spaces. Control what structures are generated and where they occur.

MRL is suitable for all stages of drug discovery, from high diversity hit expansion screens to hyper-focused lead optimization

Use Cases

MRL can be applied to:

• Small molecule design
• Peptide design

View our tutorials for more examples

Install

Package coming soon

How to use

Contributing

Acknowledgements