Issues

• Moving from conda to uv

  enhancement
  openkinome/kinoml#140 · Filter by author mbackenkoehler opened on Aug 14, 2025
  1

• ImportError/GLIBC issue using Openeye 2023.2.3

  openkinome/kinoml#135 · Filter by author sukritsingh opened on Apr 24, 2024

• Include Kincore information as a data provider

  openkinome/kinoml#126 · Filter by author ijpulidos opened on Oct 24, 2023

• Biotite 0.33.0 causes HTTP 404 error (when accessing PDB)

  openkinome/kinoml#123 · Filter by author DominikJulian opened on Jul 26, 2022

• dead kernel for example notebooks without openeye license

  bugdocumentation
  openkinome/kinoml#122 · Filter by author schallerdavid opened on May 27, 2022

• Enable use of CUDA for training if available

  openkinome/kinoml#100 · Filter by author jchodera opened on Nov 19, 2021

• Allow environment variable to set number of threads to use

  openkinome/kinoml#99 · Filter by author jchodera opened on Nov 19, 2021

• Correctly handle abstract classes

  low-prioritymedium-effort
  openkinome/kinoml#88 · Filter by author schallerdavid opened on Aug 27, 2021

• Notebook tests with cell execution times

  high-effortlow-priority
  openkinome/kinoml#87 · Filter by author schallerdavid opened on Aug 27, 2021
  3

• Code coverage

  medium-effortmedium-priority
  openkinome/kinoml#57 · Filter by author t-kimber opened on Aug 11, 2021

• Document hierarchy of molecular representation classes

  documentationlow-effortmedium-priority
  openkinome/kinoml#56 · Filter by author t-kimber opened on Aug 11, 2021
  1

• Parquet metadata

  high-effortlow-priority
  openkinome/kinoml#47 · Filter by author jaimergp opened on May 19, 2021
  2

• Memory usage during featurization

  enhancementhigh-effortlow-priority
  openkinome/kinoml#44 · Filter by author jaimergp opened on May 18, 2021

• "Buried treasure" data set

  low-priority
  openkinome/kinoml#33 · Filter by author t-kimber opened on Nov 18, 2020
  2

• Revisit caching strategy

  low-priority
  openkinome/kinoml#18 · Filter by author jaimergp opened on Aug 5, 2020
  1