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@gcroci2 gcroci2 released this 25 Jan 10:17
· 334 commits to main since this release
v3.0.0
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What's Changed

  • refactor: Query classes and related code by @DaniBodor in #492
  • refactor: unify buildgraph.py and build_graph functions 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 Trainer and DeeprankDataset logic 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 Dockerfile and .yml for 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

Contributors

DaniBodor and gcroci2
Assets 2
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