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Moving from conda to uv

enhancementNew feature or requestNew feature or request

Status: Open.

#140 In openkinome/kinoml;

· mbackenkoehler opened on Aug 14, 2025

ImportError/GLIBC issue using Openeye 2023.2.3

Status: Open.

#135 In openkinome/kinoml;

· sukritsingh opened on Apr 24, 2024

Include Kincore information as a data provider

Status: Open.

#126 In openkinome/kinoml;

· ijpulidos opened on Oct 24, 2023

Biotite 0.33.0 causes HTTP 404 error (when accessing PDB)

Status: Open.

#123 In openkinome/kinoml;

· DominikJulian opened on Jul 26, 2022

dead kernel for example notebooks without openeye license

bugSomething isn't workingSomething isn't working

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#122 In openkinome/kinoml;

· schallerdavid opened on May 27, 2022

Enable use of CUDA for training if available

Status: Open.

#100 In openkinome/kinoml;

· jchodera opened on Nov 19, 2021

Allow environment variable to set number of threads to use

Status: Open.

#99 In openkinome/kinoml;

· jchodera opened on Nov 19, 2021

Correctly handle abstract classes

low-priority

medium-effort

Status: Open.

#88 In openkinome/kinoml;

· schallerdavid opened on Aug 27, 2021

Notebook tests with cell execution times

high-effort

low-priority

Status: Open.

#87 In openkinome/kinoml;

· schallerdavid opened on Aug 27, 2021

Code coverage

medium-effort

medium-priority

Status: Open.

#57 In openkinome/kinoml;

· t-kimber opened on Aug 11, 2021

Document hierarchy of molecular representation classes

documentationImprovements or additions to documentationImprovements or additions to documentation

low-effort

medium-priority

Status: Open.

#56 In openkinome/kinoml;

· t-kimber opened on Aug 11, 2021

Parquet metadata

high-effort

low-priority

Status: Open.

#47 In openkinome/kinoml;

· jaimergp opened on May 19, 2021