Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
Packages
chemical_checker
Commits
d6d779c0
Commit
d6d779c0
authored
Dec 21, 2021
by
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
Changes
1
Pipelines
1
Hide whitespace changes
Inline
Side-by-side
container/singularity/cc_py37.def
View file @
d6d779c0
...
...
@@ -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
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment