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
helixfoldrun command for performing inference.
Changed
- Transitioned HelixFold3 to a pip-installable package.
- Overrides now handled through
CONFIG_DIFFS. - Replaced
ml_collections.ConfigDictwithDictConfigfor better integration.
Fixed
- Implemented automatic binary search within the PATH if not explicitly specified.
Removed
- Deprecated
requirements.txtin favor of direct pip installation dependencies. - Removed
run_infer.shscript as functionality is now integrated into the main command interface.
@YaoYinYing It looks good to start, but it still needs further improvement. You can add my WeChat id "******", and we can discuss more details.
Thank you for your submission! We really appreciate it. Like many open source projects, we ask that you all sign our Contributor License Agreement before we can accept your contribution.
0 out of 2 committers have signed the CLA.
:x: RyanGarciaLI
:x: YaoYinYing
You have signed the CLA already but the status is still pending? Let us recheck it.