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Notebook updates
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tlhr committed Sep 5, 2023
1 parent bd929a9 commit a3841d2
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4 changes: 2 additions & 2 deletions docs/docking-example-config.toml
Original file line number Diff line number Diff line change
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[autodockgpu]
python = "/home/${USER}/miniconda3/envs/maize-meeko/bin/python"
python = "/projects/mai/users/${USER}_thomas/opt/miniconda3/envs/maize-dev/bin/python"
modules = ["CUDA", "GCC"]
commands.autodock_gpu = "/projects/mai/users/${USER}_thomas/src/AutoDock-GPU/bin/autodock_gpu_64wi"

[gypsum]
scripts.gypsum.interpreter = "/home/${USER}/miniconda3/envs/gypsum/bin/python"
scripts.gypsum.interpreter = "/projects/mai/users/${USER}_thomas/opt/miniconda3/envs/gypsum/bin/python"
scripts.gypsum.location = "/projects/mai/users/${USER}_thomas/src/gypsum_dl/run_gypsum_dl.py"
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