Local dataset (#208) #211
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Local dataset (#208) #211
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* add load local pdb_files to ProteinGraphDataset * load local pdb_files from a list * test and black and isort and add CHANGELOG.md * docstring formatting * comment jupyter; just run and ssh or vscode to interact with container * install dependency of jupyter nbextension * Fixed Dockerfile and unit tests * Update chage log Co-authored-by: xutingfeng <xutingfeng@big.ac.cn> Co-authored-by: Arian Jamasb <arjamasb@gmail.com> Co-authored-by: ryan <ryan.greenhalgh@hotmail.co.uk>
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* fix disulphide bond node filtering #205 * Local dataset (#208) (#211) * add load local pdb_files to ProteinGraphDataset * load local pdb_files from a list * test and black and isort and add CHANGELOG.md * docstring formatting * comment jupyter; just run and ssh or vscode to interact with container * install dependency of jupyter nbextension * Fixed Dockerfile and unit tests * Update chage log Co-authored-by: xutingfeng <xutingfeng@big.ac.cn> Co-authored-by: Arian Jamasb <arjamasb@gmail.com> Co-authored-by: ryan <ryan.greenhalgh@hotmail.co.uk> Co-authored-by: Nicktf <49584439+1511878618@users.noreply.github.com> Co-authored-by: xutingfeng <xutingfeng@big.ac.cn> Co-authored-by: ryan <ryan.greenhalgh@hotmail.co.uk> * fix typo Co-authored-by: Nicktf <49584439+1511878618@users.noreply.github.com> Co-authored-by: xutingfeng <xutingfeng@big.ac.cn> Co-authored-by: ryan <ryan.greenhalgh@hotmail.co.uk>
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add load local pdb_files to ProteinGraphDataset
load local pdb_files from a list
test and black and isort and add CHANGELOG.md
docstring formatting
comment jupyter; just run and ssh or vscode to interact with container
install dependency of jupyter nbextension
Fixed Dockerfile and unit tests
Update chage log
Co-authored-by: xutingfeng xutingfeng@big.ac.cn
Co-authored-by: Arian Jamasb arjamasb@gmail.com
Co-authored-by: ryan ryan.greenhalgh@hotmail.co.uk
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What does this implement/fix? Explain your changes
What testing did you do to verify the changes in this PR?
Pull Request Checklist
./CHANGELOG.mdfile (if applicable)./graphein/tests/*directories (if applicable)./notebooks/(if applicable)python -m py.test tests/and make sure that all unit tests pass (for small modifications, it might be sufficient to only run the specific test file, e.g.,python -m py.test tests/protein/test_graphs.py)black .andisort .