MulTADrug-GPT: A sample-efficient generative framework for multi-target drug design via reinforcement and preference learning
This repository contains the code, data, and pre-trained models for "MulTADrug-GPT: A sample-efficient generative framework for multi-target drug design via reinforcement and preference learning". For detailed instructions on environment setup and the step-by-step execution of the training and evaluation pipelines, ple...