ersilia-os / eos2re5

A platform for systematic ADME evaluation of drug molecules
GNU General Public License v3.0
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Model Refactoring eos2re5: Fix Conda-activate issue #5

Closed ZakiaYahya closed 1 year ago

ZakiaYahya commented 1 year ago

To fix CommandNotFoundError: Your shell has not been properly configured to use 'conda activate'. To initialize your shell, run, I 've done following changes in Dockerfile;

From

RUN conda activate eos2re5-py27
RUN pip install scikit-learn==0.17.1
RUN pip install scipy==1.2.3
RUN conda deactivate

To RUN conda activate eos2re5-py27 && pip install scikit-learn==0.17.1 && pip install scipy==1.2.3 && conda deactivate