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@ALescoulie ALescoulie released this 12 Jan 00:44
· 165 commits to master since this release
1.0.0
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Learn about vigilant mode.

MD-SAPT Full Release

Features

  • Supports for running SAPT between standard amino acids and ligands
  • Allows users to control which SAPT method and basis used
  • Viewer object allows for Jupyter Notebooks

Limitations

  • Does not support non-standard amino acids
Assets 2
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