Retrosynthesis Python Packages

renkin

Local and reproducible route auditing for AiZynthFinder, Syntheseus and RENKIN — plus a portable Rust retrosynthesis engine.

retrocast

RetroCast: A Unified Format for Multistep Retrosynthesis

labmate-mcp

Your AI lab companion — 78 MCP tools for literature, compounds, synthesis, benchwork, peptides & publication writing

rxn-reaction-preprocessing

Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.

retroapi

AIChemist 智能化学