plinder-org / plinder

Protein Ligand INteraction Dataset and Evaluation Resource
https://plinder.sh
Apache License 2.0
140 stars 8 forks source link

Revamp documentation #25

Closed padix-key closed 1 month ago

padix-key commented 1 month ago

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 with sphinx-build docs <output_dir>

github-actions[bot] commented 1 month ago

Coverage report

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FileStatementsMissingCoverageCoverage
(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
Project Total  

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