Smirk: A Tokenizer for OpenSMILES

GitHub License paper data arXiv:2409.15370

Smirk is a chemistry-specific tokenizer that provides complete coverage of the OpenSMILES specification, that is built using Rust 🦀 and HuggingFace's tokenizers 🤗. Installation is easy, and Smirk works out-of-the-box with the HuggingFace ecosystem.

Check our documentation to see smirk in action, or read the paper to learn about tokenization for molecular foundation models.

Installation

pip install smirk

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Credits

Author: Anoushka Bhutani

GitHub Statistics

Data verified by PyPI on Jul 30, 2026
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License

Apache-2.0

Requires

Python >=3.9

Classifiers

Report project as malware

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  • Download URL: smirk-0.3.0-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl
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  • Size: 2.4 MB
  • Tags: CPython 3.10, manylinux: glibc 2.17+ ARM64
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  • Uploaded via: uv/0.12.0 {"installer":{"name":"uv","version":"0.12.0","subcommand":["publish"]},"python":null,"implementation":{"name":null,"version":null},"distro":{"name":"Ubuntu","version":"24.04","id":"noble","libc":null},"system":{"name":null,"release":null},"cpu":null,"openssl_version":null,"setuptools_version":null,"rustc_version":null,"ci":true}

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