rdkit

生信模式 (Bioinformatics Mode) — research-grade protein structure & interaction agent preset for DeepSeek Harness: AF2-Multimer, ESMFold, AutoDock Vina, MM-GBSA/MD, structure QA, virtual screening.

Organic reaction prediction for DeepSeek Harness: retrosynthesis, forward prediction, route planning, SynScore, and multi-component evolution — with in-chat molecule, reaction, and route-tree visualisation. Runs entirely locally.