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Tools to generate input data for Fragalysis

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mwinokan/xchem-align

 
 

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XChem Align

GitHub release (latest SemVer including pre-releases)

Code style: black

test mypy

Tools to generate data suitable for loading into Fragalysis.

This supersedes Fragalysis-API.

See:

Contributors:

  • Tim Dudgeon (Informatics Matters)
  • Conor Wild (Diamond)
  • Alan Christie (Informatics Matters)
  • Kalev Takis (Informatics Matters)

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Tools to generate input data for Fragalysis

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  • Python 100.0%