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Python bindings and benchmark for substructlib - #360
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nvmolkit.substruct_library.SubstructLibrary wraps the native library: queries return concurrent.futures.Future objects from an executor sized to maxConcurrentQueries, with blocking *Sync variants. finalize() swaps in a resized executor without draining queued queries, so done-callbacks may submit queries or finalize again. The bindings release the GIL around every call that can wait on the library lock. substruct_library_bench.py adds and finalizes one library per backend configuration, then times has/count/get query sweeps against it, serially or with all queries in flight, alongside RDKit's SubstructLibrary with a MolHolder or a pattern-fingerprint CachedMolHolder. nvMolKit results are validated against RDKit over the queries RDKit completed before its deadline, and rows are printed or written as CSV.
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PR 5 of 6 for #350