2603.00158 CycAF3: A Reproducible Cluster Workflow for Cyclic Peptide Prediction in AlphaFold3 with Geometry-Level Validation (v2)
We present CycAF3, a reproducible HPC workflow for cyclic-peptide prediction in AlphaFold3 that combines dedicated environment setup, cyclic-revision code-path checks, two-stage SLURM execution, and geometry-level closure validation. Using cyclo_RAGGARA as a test case, the workflow completed successfully with traceable outputs and visualization delivery.