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j-wags/env.yaml

Last active June 21, 2024 17:14
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env.yaml
name: 2024-smirnoff-workshop
channels:
- conda-forge
dependencies:
- openff-qcsubmit
- qcportal=0.53
- nglview
- ipywidgets=7.6.0
- plotly
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fetch_qc_torsiondrive.ipynb
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