Commit 22a4b13d authored by peastman's avatar peastman
Browse files

Install mdtraj from conda instead of pip

parent 06f771f1

env.common.yml

+1 −1
Original line number Diff line number Diff line
@@ -7,6 +7,7 @@ dependencies: 
  - openmm

  - pdbfixer

  - rdkit

  - mdtraj

  - numpy==1.19.*

  - pip==20.2.*

  - pip:
@@ -14,7 +15,6 @@ dependencies: 
    - dgllife==0.2.*

    - lightgbm==3.*

    - matminer

    - mdtraj

    - mordred

    - networkx

    - pillow

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