Commit d6d779c0 authored by Martina Locatelli's avatar Martina Locatelli 🍁
Browse files

Update cc_py37.def with chembl_structure_pipeline

parent b60f60eb
Pipeline #2594 passed with stages
in 67 minutes and 19 seconds
......@@ -70,6 +70,7 @@ From: ubuntu:20.04
conda install -y -c anaconda ipython">7.19" # interactive python
conda install -y -c anaconda cython # C extensions
conda install -y -c pytorch faiss-cpu # efficient similarity search and clustering
conda install -y -c conda-forge chembl_structure_pipeline # standardizing molecules the ChEMBL way
alias test_faiss='python -c "import faiss, numpy
faiss.Kmeans(10, 20).train(numpy.random.rand(1000, 10).astype(numpy.float32))"'
if ! test_faiss; then printf -- "\033[31m ERROR: faiss is failing! \033[0m\n"; else printf -- '\033[32m SUCCESS: faiss is working correctly. \033[0m\n'; fi
......
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