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chemical_checker
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36352f09
Commit
36352f09
authored
Jul 21, 2021
by
Martina Locatelli
🍁
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Update cc_py37.def to integrate D1 space
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7d3eb496
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#2474
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in 56 minutes and 55 seconds
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container/singularity/cc_py37.def
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@@ -146,6 +146,9 @@ faiss.Kmeans(10, 20).train(numpy.random.rand(1000, 10).astype(numpy.float32))"'
pip install hyperopt # Hyperparameters optimization
pip install shap # SHapley Additive exPlanations for ML models
# integration of D1
pip install git+git://github.com/Maayanlab/geode.git # Python implementation of the R package GeoDE
# in case some package changed numpy version, we really want this one
pip install numpy==1.19.2
conda install -y mkl-service
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