Create cryoDRGN conda environment
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# INSTALLATION
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IMPORTANT! DON'T INSTALL WITH AURISTOR. Use an OpenAFS system (e.g. *pmod7*).
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GLIBC>=2.14 is required (so pmod6 doesn't work).
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In theory, the yaml environment contains all the requirements. This should be
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updated for each version to change the env name and update requirements.
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CONDA_COPY_ALWAYS=1 conda env create --file cryodrgn.yml
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conda activate cryodrgn-1.1.0
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In practice, some manual installation was required following the github
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instructions. (Most errors ultimately stemed from quota issues, so try the
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file-based install next version).
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Now configure jupyterlab:
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jupyter labextension install @jupyter-widgets/jupyterlab-manager --no-build
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jupyter labextension install jupyterlab-plotly --no-build
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jupyter labextension install plotlywidget --no-build
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jupyter lab build
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## Pmodules
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After installing a new environment, wrap it in the EM/cryodrgn module
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## Testing
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To test:
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conda activate cryodrgn-1.1.0
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cryodrgn -h
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git clone https://github.com/zhonge/cryodrgn.git
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cd cryodrgn/testing
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./quicktest.sh
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It should take ~20 seconds to run and reach a final loss around 0.08 in version
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1.0 and 0.03 in version 1.1+. Note that the output should contain Use cuda
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True in the first few lines.
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name: cryodrgn-1.1.0
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channels:
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- pytorch
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- conda-forge
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- defaults
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dependencies:
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- python=3.9
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- pytorch
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- pandas
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- seaborn
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- scikit-learn
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- umap-learn
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- jupyterlab
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- ipywidgets
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- cufflinks-py
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- nodejs>=15.12.0
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- pip
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- pip:
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- git+https://github.com/zhonge/cryodrgn.git@1.1.0
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