Python API Limitations

    This is a prerelease version of the Chemaxon Python API, which is not intended for production usage.

    Known Limitations

    • Only python 3.11, 3.12 and 3.13 are tested and supported.
    • The API is not ready to support multithreaded execution, so only use it with one single thread.
    • The following chemterm functions are tested (for now): atomCount(), atomCount(<atomNumber>), mass(), formula(), ringAtomCount(), fsp3(). Other chemterm functions might work as well, but their operation has not been examined.
    • We only support the following molecule formats (for now): smiles, cxsmiles, smarts, MOL V2000, MOL V3000, mrv, cxon, name.
    • Molecule objects are immutable. That means they cannot be modified after initialization. The maximum supported atom count is 500 (heavy atoms and explicit hydrogens together).

    Further Information