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ci-lab-cz / pharmd

MD pharmacophores and virtual screening
BSD 3-Clause "New" or "Revised" License
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Cgr #3

Closed meddwl closed 2 years ago

meddwl commented 2 years ago
  1. Removed the ability to take into account chelation as a separate type of pharmacophore feature
  2. The plip package is no longer required. It has been removed from the list of required libraries Notes:
  3. The CGRTool package is required.
  4. Another necessary repository for PharMD to work: https://github.com/stsouko/PharmaContacts.git