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Open MIND· 2025

rdkit/rdkit: 2025_09_1 (Q3 2025) Release

Greg Landrum, Paolo Tosco, Brian Kelley, Ricardo Rodriguez et al.

Short summary

The RDKit cheminformatics toolkit's 2025.09.1 release introduces new parsers for SCSR and CDXML/CDX file formats, alongside significant improvements to shape-based alignment and C++20 compatibility.

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