PaddleHelix
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PR-1: Hydra-Powered YAML Configuration and run as Pip module
This is one of the separated PRs from #321 .
Full PR roadmap
id | purpose | # commits | Affected |
---|---|---|---|
1 | Hydra-Omegaconf and Pip module | 6 | Code, Config, Doc |
2 | BFD supports and MSA parallelism fixes | 5 | Code, Config, Case |
3 | Small molecule inputs and covalent bonds | 4 | Code, Case, Doc |
Changelog:
Added
- Configurability via YAML, supported by Hydra and OmegaConf.
- New
helixfold
run command for performing inference.
Changed
- Transitioned HelixFold3 to a pip-installable package.
- Overrides now handled through
CONFIG_DIFFS
. - Replaced
ml_collections.ConfigDict
withDictConfig
for better integration.
Fixed
- Implemented automatic binary search within the PATH if not explicitly specified.
Removed
- Deprecated
requirements.txt
in favor of direct pip installation dependencies. - Removed
run_infer.sh
script as functionality is now integrated into the main command interface.