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Note on Reproducibility Across Different GPU Nodes

documentationImprovements or additions to documentationImprovements or additions to documentation

priority: lowIssue with low priorityIssue with low priority

Status: Open.

#111 In ChEB-AI/python-chebai;

· aditya0by0 opened on Jul 22, 2025

latest <code>pysmiles</code> not compatible with <code>chebai</code>

Status: Open.

#98 In ChEB-AI/python-chebai;

· aditya0by0 opened on Jun 16, 2025

Replace <code>df.iterrows()</code> with <code>df.itertuples()</code> for Significant Performance Gains

priority: lowIssue with low priorityIssue with low priority

Status: Open.

#86 In ChEB-AI/python-chebai;

· aditya0by0 opened on May 6, 2025

latest <code>rdkit</code> version is not compatible with <code>chebai</code>

Status: Open.

#83 In ChEB-AI/python-chebai;

· sfluegel05 opened on Apr 25, 2025

chebai does not run with the latest python version

Status: Open.

#66 In ChEB-AI/python-chebai;

· sfluegel05 opened on Dec 2, 2024

Build a 3-star ChEBI dataset

Status: Open.

#61 In ChEB-AI/python-chebai;

· sfluegel05 opened on Oct 18, 2024

Technical issues in <code>Tox21MolNet</code> + <code>corresponding Tests</code>

priority: lowIssue with low priorityIssue with low priority

Status: Open.

#53 In ChEB-AI/python-chebai;

· aditya0by0 opened on Sep 20, 2024

MolToSmiles() gives RuntimeError for some molecules

Status: Open.

#44 In ChEB-AI/python-chebai;

· vidvath7 opened on Aug 18, 2024

Crossvalidation needs to be generalised

Status: Open.

#11 In ChEB-AI/python-chebai;

· sfluegel05 opened on Mar 5, 2024