v3.0.0
What's Changed
- refactor:
Queryclasses and related code by @DaniBodor in #492 - refactor: unify buildgraph.py and
build_graphfunctions for atom and residue level graphs by @DaniBodor in #507 - feature: separate max edge distance from interaction radius throughout by @DaniBodor in #504
- feature: improve
TrainerandDeeprankDatasetlogic for production testing by @gcroci2 in #515 - build: switch to conda dssp installation by @gcroci2 in #549
- ci: implement ruff by @DaniBodor in #554
- ci: add GitHub action for testing the latest package version released on PyPi by @gcroci2 in #560
- docs: add
Dockerfileand.ymlfor building conda env by @gcroci2 in #528 - docs: implement minor suggestions for JOSS paper by @gcroci2 in #538
Full Changelog: v2.1.2...v3.0.0