01
Browser
Best for interactive tools, offline explorers, and analysis that should stay in the browser.
npm install @kent-tokyo/chematicWays to use chematic
Choose the environment that fits your workflow. The same chemistry core can move from a quick browser experiment to a local Python or Rust application.
01
Browser
Try molecular analysis locally in a browser with no server round trip.
Open the browser guide 02Python
Use notebooks, pandas workflows, and batch analysis from PyPI.
Open the Python guide 03Rust
Build native services, command-line tools, and embedded chemistry workflows.
Open the Rust guide 04AI agents
Give a local AI client structured chemistry tools through chematic-mcp.
Open the AI agents guide02
Python
Best for notebooks, DataFrames, and batch jobs over structure files.
pip install chematic03
Rust
Best for native applications and services where the chemistry logic belongs in the same process.
cargo add chematic --features "smiles,perception,chem,3d,fp"04
AI agents
Best when an AI client needs typed chemistry operations on a local machine.
cargo run -p chematic-mcp --releaseNot sure where to start?
Use the browser playground for a quick first look. Choose Python for notebooks and data work, Rust for an application or service, and AI agents when a local assistant needs chemistry tools.