/DeepRetrosynthesis

DeepRetrosynthesis: methods and implementations

overview

[WIRES]

This is a repository for AI-based retrosynthesis methods. You can check single-step or multi-step methods and their performance at corresponding folders.

You can find more information in the published article: Zhong et al's Recent advances in deep learning for retrosynthesis.

Experiment Settings:

  • CPU: Intel(R) Xeon(R) CPU E5-2699 v4 @ 2.20GHz
  • Memory: 128 GB
  • GPU: NVIDIA GeForce RTX 3090 (24GB)