Commit Graph

4 Commits

Author SHA1 Message Date
Dima
7fd121f842 Reorganize tests for CPU coverage CI 2026-03-27 15:57:10 +01:00
Dima Molodenskiy
0c71900d89 Exclude tests from af2 af3 al2 cf 2026-02-18 09:58:40 +01:00
Dima
4d802be7d6 support both af2 and af3 data pipelines (#523)
* symmetrical refactoring to support both af2 and af3 data pipelines

* Clean tests

* Keep GPU tests in place

* Reverted accidentally deleted templates

* Add AlphaFold3 feature creation pipeline and per-chain input generation

- Implement `create_pipeline_af3` to construct the AlphaFold3 data pipeline with correct database and binary paths.
- Add `create_af3_individual_features` to generate AlphaFold3 input features for each chain in a FASTA, handling protein, RNA, and DNA sequences.
- Integrate new AF3 logic into the main entry point, dispatching to AF2 or AF3 as appropriate.
- Ensure output directory creation and error handling for missing dependencies or invalid sequences.

* Convert template dates to datetime for af3

* First check for nucleotides, then for amino-acids

* Skip existing features json if --skip_existing=true

* Check if DNA before RNA

* Bump 2.1.0

* Git ignore build/ dir
2025-07-16 12:30:18 +02:00
Dima Molodenskiy
0c6402cacd Updated tests 2024-09-05 11:15:59 +02:00