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j-wags
commented
May 25, 2026
| "# set up the RDKit task\n", | ||
| "rdkit_task = {\n", | ||
| " \"schema_name\": \"qcschema_input\",\n", | ||
| " \"schema_version\": 2,\n", |
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nomklpackage from all envsschema_versionfield, which we were passing a bad-but-ignored value to before)