Closed padix-key closed 1 month ago
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File Statements Missing Coverage Coverage
(new stmts)Lines missing
src/plinder/core
__init__.py
src/plinder/data
__init__.py
final_structure_qc.py
get_system_annotations.py
splits.py
256
src/plinder/data/pipeline
config.py
io.py
utils.py
src/plinder/data/structure
atoms.py
src/plinder/data/utils/annotations
aggregate_annotations.py
425-427, 436, 1080
get_ligand_validation.py
69
interaction_utils.py
ligand_utils.py
protein_utils.py
104
rdkit_utils.py
297-298, 347-352, 358, 514-541
save_utils.py
src/plinder/eval/docking
utils.py
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This PR completely revamps the documentation to make the structure clearer and give the user (almost) all information they need to use PLINDER.
The previous
Makefile
is gone. Instead everything necessary is done withsphinx-build docs <output_dir>