Download
This repository is a collection of useful jupyter notebooks, code snippets and example JSON files illustrating the use of Reinvent 3.2.
Features
- Full-fledged use case using public data on DRD2, including use of predictive models and elucidating general considerations
- Explanation on how to initialize a new model (prior / agent) for REINVENT which can be trained in a transfer learning setup
- Tutorial on how to prepare (clean, filter and standardize) data from a source such as ChEMBL to be used for training
- Shows how to train a predictive (QSAR) model to be used with REINVENT based on the public DRD2 dataset (classification problem)
- Example reinforcement learning run with a selection of scoring function components to generate novel compounds with ever higher scores iteratively
- Very simple (only 1, easy-to-understand component) transfer learning example
Project Samples
Categories
Libraries, Reinforcement Learning Frameworks, Reinforcement Learning Libraries, Reinforcement Learning AlgorithmsLicense
MIT LicenseFollow ReinventCommunity
Other Useful Business Software
Our Free Plans just got better! | Auth0
You asked, we delivered! Auth0 is excited to expand our Free and Paid plans to include more options so you can focus on building, deploying, and scaling applications without having to worry about your security. Auth0 now, thank yourself later.
Rate This Project
Login To Rate This Project
User Reviews
Be the first to post a review of ReinventCommunity!
