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dan2097 / jna-inchi

Wrapper to access InChI from Java
GNU Lesser General Public License v2.1
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Achieve performance parity with JNI-InChI #6

Closed dan2097 closed 6 years ago

dan2097 commented 6 years ago

Type mapping incurrs a performance penalty with JNA. ~15% performance gains are achievable by using Pointer rather than subclasses of PointerType, and by using byte[] rather than String.

dan2097 commented 6 years ago

With these speedups, JNI-Inchi is still slightly faster (~35 second vs ~38 seconds for 90k structures from ChEBI), but that's probably good enough.