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 MolHash is a command-line application and programming library for generating hashes from molecular structures. This section gives an overview of each of the most useful hash functions in turn. The user should find it straightforward to add additional...
  Just a reminder that support for Python 2.7 will end on Jan 31 2020 (there will be no 2.8), all major scientific packages now support Python 3.x and there will be no further updates the Python 2.x versions.An increasing number of projects have pledged...
  At the latest Bio-ITWorld 3decision was recognised with an award3decision – next generation structural knowledge management solutionAlthough wildly used, rational structure-based drug design (SBDD) techniques are far from being applied to their...

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 MolHash is a command-line application and programming library for generating hashes from molecular structures. This section gives an overview of each of the most useful hash functions in turn. The user should find it straightforward to add additional...
  Just a reminder that support for Python 2.7 will end on Jan 31 2020 (there will be no 2.8), all major scientific packages now support Python 3.x and there will be no further updates the Python 2.x versions.An increasing number of projects have pledged...
  At the latest Bio-ITWorld 3decision was recognised with an award3decision – next generation structural knowledge management solutionAlthough wildly used, rational structure-based drug design (SBDD) techniques are far from being applied to their...