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chemical_checker
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f02f095d
Commit
f02f095d
authored
Jun 21, 2022
by
Martino Bertoni
🌋
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removing dependency that cause problem with docs
parent
1ce8f59e
Pipeline
#2695
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in 113 minutes and 57 seconds
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container/singularity/cc_py37.def
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f02f095d
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@@ -63,7 +63,7 @@ From: ubuntu:20.04
conda install -y -c conda-forge rdkit # Open-Source Cheminformatics Software
conda install -y -c openbabel openbabel # chemical toolbox
conda install -y mkl-service # change the number of CPU’s MKL is using
conda install -y anaconda-client # client that provides an interface to Anaconda Cloud
#
conda install -y anaconda-client # client that provides an interface to Anaconda Cloud
conda install -y -c conda-forge hdbscan # clustering
conda install -y -c efelix fpsim2 # fast compound similarity searches (used in TargetMate)
conda install -y -c conda-forge jupyterlab # Jupyter notebooks
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