Intrinsically Disordered Region (IDR) Binder Design

PaperCodeNeed >20GB

Design binders to intrinsically disordered regions

Readiness

Readiness: Need >20GB
Smoke: not_tested
Artifacts: not_applicable
Production: need_gt20gb_multi_pipeline_af2_rfdiffusion_pyrosetta
Storage: <5
Strategy: shared python312_slim.sif + tool ext3 overlay
Next: Defer to large multi-pipeline round; materialize exact source path, patch hard-coded paths, assemble licensed/model assets, then run threading-only Slurm smoke first.

IDR Binder Design source verified as drhicks/Kejia_peptide_binders rev 7f65c18cc57b3e72d290c885c540276c7d9c6ab8; upstream release tag 10b9847b05e2b7316ee0fc754984e3f9c59d9eaa. Staged size ~651 MB. Bounded dry-run of threading/make_jobs.py generated one command but retained upstream hard-coded /net/... paths. No Slurm compute job. Required runtimes/assets include PyRosetta, AF2/ColabFold weights/databases, ProteinMPNN runtime/weights, RFdiffusion runtime/weights, plus local path adaptation; existing ProteinMPNN/DDG SIF did not expose required torch/protein_mpnn_utils/pyrosetta. 2026-07-04 triage: requires PyRosetta/Rosetta silent tools plus AF2/ColabFold, ProteinMPNN, and RFdiffusion runtimes/assets with upstream hard-coded paths patched. This is a large multi-pipeline build and should leave Smoke Pending.