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A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

License: MIT License

Python 99.97% Just 0.03%
chemistry cheminformatics reactions computational-science computational-chemistry materials-science materials-design materials-discoveries materials-screening molecular-structures

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jelfsmaterialsgroup eberardo chemphy supramolecular-toolkit liamwilbraham mrauha minghao2016 asantanabo fiszczyp lucaspedroni andrewtarzia stevenkbennett llsonkimm abossavit mettlyz sianpoynton layeqa honsa pk-organics benedictsaunders kingscolour computational-chemistry-research austin-mroz rdguerrerom nguyenka philliphine rnaimehaom sunhwan joshkamm lgtm-migrator jubilantsundar chrinide cx1027 omicron-fluor fmggggg aqhali percramer iribirii

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