https://github.com/bertiewooster/polars_rdkit_canonicalizer

https://github.com/bertiewooster/polars_rdkit_canonicalizer

Last synced: about 1 year ago
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• Host: GitHub
• URL: https://github.com/bertiewooster/polars_rdkit_canonicalizer
• Owner: bertiewooster
• Created: 2024-03-09T03:22:20.000Z (over 2 years ago)
• Default Branch: main
• Last Pushed: 2024-03-14T02:04:58.000Z (over 2 years ago)
• Last Synced: 2024-04-21T03:55:17.472Z (about 2 years ago)
• Language: Rust
• Size: 66.4 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

          
# RDKit canonicalizer

Given a Polars series of SMILES, return the canonical SMILES from RDKit