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Published March 20, 2024 | Version v3.0.2
Software Open

DeepRank2: Mining 3D Protein Structures with Geometric Deep Learning

Creators

  • 1. Netherlands eScience Center, Amsterdam, The Netherlands
  • 2. Center for Molecular Bioinformatics, Radboud Universitair Medisch Centrum, Nijmegen, Gelderland, The Netherlands

Description

What's Changed

  • fix: update requirements.txt by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/589
  • ci: move PyPI deps installation to conda by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/565
  • ci: add action for testing the tutorials' notebooks by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/587
  • ci: set default shell for fixing the workflows by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/598
  • docs: update README.md with JOSS badge by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/579
  • docs: add docstring for _check_pdb function of features/secondary_structure.py by @DaniBodor in https://github.com/DeepRank/deeprank2/pull/588
  • docs: clarify queries' usage by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/586
  • docs: add OPLS ref to the docs by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/594
  • paper: add affiliation and corresponding author correction by @gcroci2 in https://github.com/DeepRank/deeprank2/pull/580
  • style: update ruff by @DaniBodor in https://github.com/DeepRank/deeprank2/pull/584

Full Changelog: https://github.com/DeepRank/deeprank2/compare/v3.0.1...v3.0.2

Files

DeepRank/deeprank2-v3.0.2.zip

Files (16.7 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/DeepRank/deeprank2/tree/v3.0.2 (URL)