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Initial commit: Chai-1 protein structure prediction pipeline for WES

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- Nextflow pipeline using chai1 Docker image from Harbor
- S3-based input/output paths (s3://omic/eureka/chai-lab/)
- GPU-accelerated protein folding with MSA support

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
This commit is contained in:
Olamide Isreal
2026-03-16 12:55:08 +01:00
commit f971fd0e21
26 changed files with 1289 additions and 0 deletions
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6
input/insulin_complex.fasta Executable file
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>protein|name=insulin-a-chain
GIVEQCCTSICSLYQLENYCN
>protein|name=insulin-b-chain
FVNQHLCGSHLVEALYLVCGERGFFYTPKT
>protein|name=insulin-receptor-l1
PQAFVNWLRGGSQQVEVFVSDLPKLRNLLQGEELLGRGSFGVVYEGNARDIIKGEAETRVAVKTVNESASLRERIEFLNEASVMKGFTCHHVVRLLGVVSKGQPTLVVMELMAHGDLKSYLRSLRPEAENNPGRPPPTLQEMIQMAAEIADGMAYLNAKKFVHRDLAARNCMVAHDFTVKIGDFGMTRDIYETDYYRKGGKGLLPVRWMAPESLKDGVFTTSSDMWSFGVVLWEITSLAEQPYQGLSNEQVLKFVMDGGYLDQPDNCPERVTDLMRMCWQFNPKMRPTFLEIVNLLKDDLHPSFPEVSFFHSEENKAPESEELEMEFEDMENVPLDRSSHCQREEAGGRDGGSSLGFKRSYEEHIPYTHMNGGKKNGRILTLPRSNPS