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Document fingerprints #118

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8 of 23 tasks
j-adamczyk opened this issue Apr 1, 2024 · 0 comments
Open
8 of 23 tasks

Document fingerprints #118

j-adamczyk opened this issue Apr 1, 2024 · 0 comments
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documentation Improvements or additions to documentation good first issue Good for newcomers

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@j-adamczyk
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j-adamczyk commented Apr 1, 2024 •
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Add Scikit-learn style documentation to fingerprint classes. In particular, describe parameters, features, and output shape (for descriptors), and add relevant bibliography and links.

  • Atom Pair
  • Autocorrelation
  • Avalon
  • E3FP
  • ECFP
  • ERG
  • EState
  • GETAWAY
  • Layered
  • MACCS
  • MAP4
  • MHFP
  • Mordred
  • MoRSE
  • Pattern
  • Pharmacophore
  • Physiochemical properties
  • PubChem
  • RDF
  • RDKit
  • SECFP
  • Topological Torsion
  • WHIM
@j-adamczyk j-adamczyk added documentation Improvements or additions to documentation good first issue Good for newcomers labels Apr 1, 2024
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