pgdh_ipsae

What problem does it solve?

This Skill automates the scoring and ranking of protein binder designs for the 15-PGDH target, streamlining the evaluation process and identifying top candidates for further development.

Core Features & Use Cases

• Scoring Binder Designs: Evaluates protein-protein interaction confidence using the ipSAE metric.
• Ranking Candidates: Ranks designs based on ipSAE and other relevant metrics like pDockQ and LIS.
• Filtering Designs: Helps filter designs before computationally intensive steps like cross-validation.
• Use Case: After generating potential binder designs using tools like BoltzGen or RFdiffusion, use this Skill to quickly assess their binding potential to 15-PGDH and select the most promising ones for submission.

Quick Start

Use the pgdh_ipsae skill to score the binder design located at 'pgdh_campaign/out/boltz2/candidate_1/model_0.cif' with its corresponding PAE file 'pgdh_campaign/out/boltz2/candidate_1/pae.json'.