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Merge remote-tracking branch 'origin/sepenv-t019' into separate-envir…
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mbackenkoehler committed Feb 28, 2024
2 parents b6e713b + a8a9451 commit 69b33ee
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10 changes: 10 additions & 0 deletions teachopencadd/talktorials/T019_md_simulation/environment.yml
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name: teachopencadd-t019
channels:
- conda-forge
- defaults
dependencies:
- python=3.11
- jupyterlab
- pip
- rdkit
- pdbfixer
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