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HannesStark / EquiBind

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
MIT License
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packages missing #68

Open benjileibo opened 1 year ago

benjileibo commented 1 year ago

there are multiple packages missing from the conda env. created the conda env and got module missing for the following

  1. dgl
  2. torch
  3. rdkit
  4. Bio
  5. biopandas
  6. pyaml
  7. joblib
  8. pot

Had to pip3 install to get it to work