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ChemBioHTP / EnzyHTP

EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
https://enzyhtp-doc.readthedocs.io
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development need for EnzyTrun #86

Open shaoqx opened 1 year ago

shaoqx commented 1 year ago

Rank based on importance: (means low ranking ones can be temporarily manually replaced or remove)

  1. mutation function
  2. MD and Amber interface
  3. Rosetta ddG Interface
  4. Structural alignment function
  5. AlphaFold2 interface
  6. QM interface
  7. SCA interface