v2.1.0

What's Changed

Fix

• fix: check only 1 pssm for variant queries by @DaniBodor in #430
• fix: pdb files with underscore in the filename gives unexpected query ids by @joyceljy in #447
• fix: dataset_train inheritance warnings by @gcroci2 in #461
• fix: cast hse feature to float64 by @DanLep97 in #465
• fix: readthedocs after deeprank2 renaming by @gcroci2 in #472
• fix: force scipy version for fixing deeprank2 installation by @gcroci2 in #478
• fix: warning messages for invalid data in test_dataset.py by @joyceljy in #442
• fix: make scipy 1.11.2 work by @cbaakman in #482

Refactor

• refactor: inherit information from training set for valid/test sets by @joyceljy in #446
• refactor: rename deeprankcore to deeprank2 by @gcroci2 in #469

Build

• build: improve installation making use of pyproject.toml file only and setuptools by @gcroci2 in #491

CI

• CI: decrease sensitivity of test_graph_augmented_write_as_grid_to_hdf5 by @DaniBodor in #445
• CI: fewer triggers by @DaniBodor in #457

Docs

• docs: update README.md by @gcroci2 in #443
• docs: create tutorial README by @DaniBodor in #455
• docs: improve installation instructions by @DaniBodor in #452
• docs: add tutorials for PPIs by @gcroci2 in #434
• docs: add tutorials for variants by @gcroci2 in #459
• docs: minor improvements to install instructions by @DaniBodor in #484
• docs: type hinting and docstrings in molstruct by @DaniBodor in #497
• docs: joss paper by @gcroci2 in #423
• docs: clarify ppi scoring metrics and add doc strings and tests by @gcroci2 in #498
• docs: add performances table for deeprank2 by @gcroci2 in #493

Style

• style: auto-scrape trailing whitespace upon save in VS code by @DaniBodor in #483

Full Changelog: v2.0.0...v2.1.0