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Releases: aws-samples/drug-discovery-workflows

v2.18.0

07 Mar 22:26
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[2.18.0] - 2025-03-07

2.18.0 Added

  • Added support for Boltz-1 (Single Sequence Mode)
  • Added support for Deepstabp
  • Added support for Efficient Evolution
  • Added support for Efficient Evolution
  • Added support for ProteinMPNN-DDG
  • Added support for PEP-Patch
  • Added support for AggreScan 3D

v2.17.0

07 Mar 17:47
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2.17.0 Added

  • Added support for OpenFold2

v2.16.0

06 Mar 21:02
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2.16.0 Added

  • Added support for Colabfold-search workflow to generate MSA files.
  • Added protein complex prediction workflow.

2.16.0 Changed

  • Updated Chai-1 workflow to support MSA, template, and constraint files.
  • Updated the indexed Uniref30 data source to S3.

v2.15.1

19 Feb 20:52
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[2.15.1] - 2025-02-19

2.15.1 Fixed

  • Updated container build logic in scripts/testrun.sh
  • Added missing modules to README

v2.15.0

18 Feb 18:41
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[2.15.0] - 2025-02-18

2.15.0 Added

  • Added support for DiffAb antigen-specific design model from Helixon (PR 31)
  • Added support for Humatch mAb humanization model from Oxford Protein Informatics Group (PR 32)

2.15.0 Fixed

v2.14.1

29 Jan 22:47
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[2.14.1] - 2025-01-29

2.14.1 Fixed

  • Added missing region variable to Chai-1 base image.
  • Updated container build script to better handle missing remote repository credentials.

v2.14.0

13 Jan 23:02
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[2.14.0] - 2025-01-13

2.14.0 Fixed

v2.13.0

08 Jan 20:49
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[2.13.0] - 2025-01-08

2.13.0 Changed

  • Updated EvoProtGrad directed evolution workflow to include fine-tuned regression expert.
  • Added additional license information to container scripts.

v2.12.0

03 Jan 20:59
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[2.12.0] - 2025-01-03

2.12.0 Added

  • Added MMseqs2 workflow

2.12.0 Changed

  • Updated AlphaFold2-Multimer workflow to support multiple input fasta files

v2.11.0

18 Dec 18:19
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[2.11.0] - 2024-12-18

2.11.0 Added

  • Added AntiFold workflow