MLCIL

Issues somebody may already be working on are listed last. List everything by date

• Update publications

  Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  documentation

  Difficulty 1/5 Under an hour Newbie friendliness 72/100

  MLCIL/scikit-fingerprints#700 · Opened Oct 20, 2026

• ModuleNotFoundError: No module named 'skfp.model_selection'

  Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  bug

  Difficulty 2/5 1-3 hours Newbie friendliness 69/100

  MLCIL/scikit-fingerprints#699 · 1 comment · Opened Oct 19, 2026

• 3D fingerprints accept 2D-only conformers and handle missing conformers inconsistently

  Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  bug

  Difficulty 4/5 3-5 days Newbie friendliness 54/100

  MLCIL/scikit-fingerprints#697 · 1 comment · Opened Oct 18, 2026

• Make sure preprocessing transformers work with all data types for labels

  Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  bug

  Difficulty 3/5 1-2 days Newbie friendliness 55/100

  MLCIL/scikit-fingerprints#684 · Opened Aug 15, 2026

• Bring in descriptors normalization from `descriptastorus`

  Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  enhancement

  Difficulty 5/5 Over a week Newbie friendliness 45/100

  MLCIL/scikit-fingerprints#637 · Opened Jul 12, 2026

• Descriptor with element counts

  May be free again @PawanSinghB9054 claimed this 64 days ago, and no pull request is open. Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  enhancement good first issue

  Difficulty 3/5 1-2 days Newbie friendliness 35/100

  MLCIL/scikit-fingerprints#551 · 2 comments · Opened Apr 12, 2026

• Add iSIM functionalities

  Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  feature good first issue

  Difficulty 5/5 Over a week Newbie friendliness 25/100

  MLCIL/scikit-fingerprints#505 · Opened Dec 5, 2025

• Add more datasets & benchmarks

  Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  feature

  Difficulty 5/5 Over a week Newbie friendliness 25/100

  MLCIL/scikit-fingerprints#184 · 2 comments · Opened Jun 27, 2024

• Consider adding bit interpretation of fingerprints

  Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  enhancement

  Difficulty 5/5 Over a week Newbie friendliness 20/100

  MLCIL/scikit-fingerprints#116 · Opened Apr 1, 2024

• Finish Mordred implementation

  Possibly taken @pkacprzak5 claimed this 19 days ago. Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  feature

  MLCIL/scikit-fingerprints#694 · 3 assignees · Opened Oct 4, 2026

• Update library to be compatible with Python 3.14

  Possibly taken @BioGeek claimed this 137 days ago. Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  blocked Technical maintenance

  Difficulty 4/5 3-5 days Newbie friendliness 25/100

  MLCIL/scikit-fingerprints#496 · 6 comments · Opened Oct 7, 2025

• Implement molecular clustering

  Possibly taken @rayair250-droid claimed this 112 days ago. Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  feature good first issue

  Difficulty 5/5 Over a week Newbie friendliness 30/100

  MLCIL/scikit-fingerprints#328 · 3 comments · Opened Nov 15, 2024

• Add tutorials and usage examples

  Possibly taken A pull request linked to this issue is open or already merged. Open

  ⋯Report a problem with this issue

  • Is something wrong?

  • Already taken
  • Not beginner-friendly
  • Stale or invalid
  • Something else…
  • Send Cancel
  documentation feature

  Difficulty 5/5 Over a week Newbie friendliness 25/100

  MLCIL/scikit-fingerprints#119 · Opened Apr 1, 2024