Deeprank2

Abstract

What's Changed Fix fix: check only 1 pssm for variant queries by @DaniBodor in https://github.com/DeepRank/deeprank2/pull/430 fix: pdb files with underscore in the filename gives unexpected query ids by @joyceljy in https://github.com/DeepRank/deeprank2/pull/447 fix: dataset_train inheritance warnings by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/461 fix: cast hse feature to float64 by @DanLep97 in https://github.com/DeepRank/deeprank2/pull/465 fix: readthedocs after deeprank2 renaming by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/472 fix: force scipy version for fixing deeprank2 installation by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/478 fix: warning messages for invalid data in test_dataset.py by @joyceljy in https://github.com/DeepRank/deeprank2/pull/442 fix: make scipy 1.11.2 work by @cbaakman in https://github.com/DeepRank/deeprank2/pull/482 Refactor refactor: inherit information from training set for valid/test sets by @joyceljy in https://github.com/DeepRank/deeprank2/pull/446 refactor: rename deeprankcore to deeprank2 by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/469 Build build: improve installation making use of pyproject.toml file only and setuptools by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/491 CI CI: decrease sensitivity of test_graph_augmented_write_as_grid_to_hdf5 by @DaniBodor in https://github.com/DeepRank/deeprank2/pull/445 CI: fewer triggers by @DaniBodor in https://github.com/DeepRank/deeprank2/pull/457 Docs docs: update README.md by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/443 docs: create tutorial README by @DaniBodor in https://github.com/DeepRank/deeprank2/pull/455 docs: improve installation instructions by @DaniBodor in https://github.com/DeepRank/deeprank2/pull/452 docs: add tutorials for PPIs by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/434 docs: add tutorials for variants by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/459 docs: minor improvements to install instructions by @DaniBodor in https://github.com/DeepRank/deeprank2/pull/484 docs: type hinting and docstrings in molstruct by @DaniBodor in https://github.com/DeepRank/deeprank2/pull/497 docs: joss paper by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/423 docs: clarify ppi scoring metrics and add doc strings and tests by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/498 docs: add performances table for deeprank2 by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/493 Style style: auto-scrape trailing whitespace upon save in VS code by @DaniBodor in https://github.com/DeepRank/deeprank2/pull/483 Full Changelog: https://github.com/DeepRank/deeprank2/compare/v2.0.0...v2.1.