DECIMER V2 - API Server

An extension of DECIMER V2 including the DECIMER Image Classifier — served as an API via Docker, local server, or standalone script.

Supports Mac Silicon (M1-4) GPU acceleration, Linux/Windows with CUDA, and reaction scheme image classification.

Features

• Convert images of chemical structures to SMILES format
• Supports hand-drawn and digital images
• Classification also works with reaction schemes
• Fast recognition via server-based one-time model loading
• Easy Python API integration

Quick Start

Docker (Recommended)

docker compose up -d --build

Then install the Python client:

pip install ./packages/decimerapi/

Local Server

uv sync
uv run python decimer_server.py

The server runs on localhost:8099. See example_usage for complete examples.

Documentation

• Installation Guide - Docker, local, and standalone setup
• API Reference - HTTP and Python API usage
• Differences - Changes from original DECIMER packages
• FAQ - Common questions and important caveats

License

MIT License — see LICENSE file.