We built an open-source structure-to-name tool and need people to test it
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Hi everyone, We at Lamalab been working on OpenClatura, an open-source tool for generating systematic chemical names from SMILES. The original motivation was to build something along the lines of ChemDraw’s structure-to-name feature, but open source and easier to inspect, modify, and test. It is still early, and right now we are mainly looking for edge cases/setup problem and integration ideas. If you work with molecular structures, it would be very helpful if you could try it on one or two compounds and let us know where it fails, produces a strange name, or does not install correctly. Installation Command-line example Python example GitHub: https://github.com/lamalab-org/openclatura Issues can be reported here: https://github.com/lamalab-org/openclatura/issues Blunt feedback is very welcome. P.S Got aprovment from the mods, was told to mention that: ) submitted by /u/TilOilen |
