Individual skill
askcos
Retrosynthetic template relevance prediction using a locally deployed ASKCOS TorchServe service. Returns ranked precursor suggestions with confidence scores from 5 template sets (reaxys, pistachio, pistachio_ringbreaker, bkms_metabolic, reaxys_biocatalysis). Requires local deployment at http://localhost:9410.
skills/askcos/SKILL.md
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# ASKCOS - Retrosynthetic Template Relevance
## Overview
ASKCOS template_relevance predicts retrosynthetic disconnections using reaction template libraries.
The service runs locally as a TorchServe container (`retro_template_relevance`) and requires a
SMILES input, returning ranked precursor SMILES with template match scores.
Deployment: https://gitlab.com/mlpds_mit/askcosv2/retro/template_relevance
Docs: https://askcos-docs.mit.edu/guide/4-Deployment/4.2-Standalone-deployment-of-individual-modules.html
## Requirements
- Docker container `retro_template_relevance` running at `http://localhost:9410`