RxnLab is an open-source platform to predict, steer, and evaluate retrosynthesis with modern ML models — from single-step disconnections to full multi-step routes. Built for chemists and ML researchers working on reaction-level generative modeling.
Once you've tried the platform, the feedback form takes ~2 minutes. Anonymous, focused on the UX of using RxnLab.
Graph diffusion model for single-step retrosynthesis.
Template-based graph model for single-step retrosynthesis.
Template-free SMILES-to-SMILES transformer for single-step retrosynthesis.
Graph-edit (semi-template) model for single-step retrosynthesis.