I built a DuckDB extension to handle chemistry data without pandas or RDKit
nk_Enuke
Idea While reproducing top solutions of a chemistry data competition , I started building a DuckDB community extension for handling chemistry data directly in SQL. What it can do Parse SMILES, InChI, PDB and other chemistry formats directly — no pandas, no RDKit on the side Plug into DuckDB's native CSV/Parquet/Iceberg/S3/HTTP readers, so ingestion + light preprocessing happens in one query Background What is chemistry data, anyway? One of the canonical forms is SMILES , a notation that encodes
