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rdkit-rs / rdkit Public

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Add configurable fingerprints and MACCS keys#52

Draft

sharifhsn wants to merge 14 commits intordkit-rs:mainrdkit-rs/rdkit:mainfrom

sharifhsn:pr/fingerprintssharifhsn/rdkit:pr/fingerprintsCopy head branch name to clipboard

Conversation Commits14 (14)Checks Files changed

Draft

Add configurable fingerprints and MACCS keys#52
sharifhsn wants to merge 14 commits intordkit-rs:mainfrom
sharifhsn:pr/fingerprints

Commits

Commits on Mar 14, 2026

Upgrade C++ standard from C++17 to C++20

sharifhsn
and
claude
committed
Add explicit lifetime annotation to atom_with_idx return type

sharifhsn
and
claude
committed
Fix clippy warnings: unused lifetime and len_zero

sharifhsn
and
claude
committed
Replace deprecated rustfmt version option with style_edition

sharifhsn
and
claude
committed
Fix tail-expression drop order for Rust 2024 compatibility

sharifhsn
and
claude
committed
Upgrade to Rust edition 2024

sharifhsn
and
claude
committed
Add const atom access FFI path

sharifhsn
and
claude
committed
Add AtomRef for read-only atom access without &mut self

sharifhsn
and
claude
committed
Add parity tests for AtomRef vs Atom

sharifhsn
and
claude
committed
Add atom iteration benchmarks comparing AtomRef vs Atom

sharifhsn
and
claude
committed
Update dependencies to latest major versions

sharifhsn
and
claude
committed
Trim benchmarks to honest comparisons only

sharifhsn
and
claude
committed

Commits on Mar 15, 2026

Fix broken rdkit-sys link in README

sharifhsn
and
claude
committed
Add configurable fingerprints and MACCS keys

sharifhsn
and
claude
committed

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