Charles Tapley Hoyt<p>Most cheminformatics code that uses queries ChEMBL struggles with reproducibility.</p><p>chembl-downloader can help:</p><p>>>> import chembl_downloader as cd<br>>>> df = cd.query("""<br> SELECT chembl_id, pref_name<br> FROM molecule_dictionary<br> WHERE pref_name IS NOT NULL<br>""")</p><p>It's even sneaking its way into <span class="h-card" translate="no"><a href="https://masto.ai/@wpwalters" class="u-url mention" rel="nofollow noopener" target="_blank">@<span>wpwalters</span></a></span> and <span class="h-card" translate="no"><a href="https://mastodon.social/@dr_greg_landrum" class="u-url mention" rel="nofollow noopener" target="_blank">@<span>dr_greg_landrum</span></a></span> blogs :)</p><p>Code/Docs: <a href="https://github.com/cthoyt/chembl-downloader" rel="nofollow noopener" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">github.com/cthoyt/chembl-downl</span><span class="invisible">oader</span></a></p><p>Preprint: <a href="https://arxiv.org/pdf/2507.17783" rel="nofollow noopener" translate="no" target="_blank"><span class="invisible">https://</span><span class="">arxiv.org/pdf/2507.17783</span><span class="invisible"></span></a></p><p><a href="https://scholar.social/tags/cheminformatics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>cheminformatics</span></a> <a href="https://scholar.social/tags/chemoinformatics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>chemoinformatics</span></a> <a href="https://scholar.social/tags/chembl" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>chembl</span></a> <a href="https://scholar.social/tags/reproducibility" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>reproducibility</span></a> <a href="https://scholar.social/tags/chemistry" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>chemistry</span></a> <a href="https://scholar.social/tags/openscience" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>openscience</span></a></p>