├── .travis.yml ├── Formula ├── align-it.rb ├── avalon.rb ├── chargemol.rb ├── checkmol.rb ├── chemistry-development-kit.rb ├── chemspot.rb ├── cluster.rb ├── filter-it.rb ├── inchi.rb ├── indigo.rb ├── jcompoundmapper.rb ├── lilly-medchem-rules.rb ├── open-babel.rb ├── opsin.rb ├── osra.rb ├── rdkit.rb ├── shape-it.rb ├── spectral-hk.rb ├── strip-it.rb └── subset.rb └── README.md /.travis.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mcs07/homebrew-cheminformatics/HEAD/.travis.yml -------------------------------------------------------------------------------- /Formula/align-it.rb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mcs07/homebrew-cheminformatics/HEAD/Formula/align-it.rb -------------------------------------------------------------------------------- /Formula/avalon.rb: 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