Releases: aws-samples/drug-discovery-workflows
Releases · aws-samples/drug-discovery-workflows
v2.18.0
[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
2.17.0 Added
- Added support for OpenFold2
v2.16.0
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
[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
v2.14.1
[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
[2.14.0] - 2025-01-13
2.14.0 Fixed
- Updated Uniref30 database to most recent version (2023-02) to avoid known HHBlits issue described at google-deepmind/alphafold#810.
v2.13.0
[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
[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
[2.11.0] - 2024-12-18
2.11.0 Added
- Added AntiFold workflow