Synchronize and rank protein binder designs for the 15-PGDH target.
npx skills add https://github.com/alex-hh/in-silico-pgdh --skill pgdh-evaluate
Please help me install this Agent Skill. Skill: pgdh-evaluate Source: https://github.com/alex-hh/in-silico-pgdh/tree/main/.claude/skills/pgdh-evaluate Command: npx skills add https://github.com/alex-hh/in-silico-pgdh --skill pgdh-evaluate
This Skill streamlines the process of collecting, ranking, and evaluating protein binder designs for the 15-PGDH target, automating complex computational biology workflows.
Use the pgdh-evaluate skill to collect and rank designs from S3.
High-intent search queries and answers about installing and using this skill.
To evaluate protein binder designs for 15-PGDH, this Skill synchronizes outputs from various design tools, submits computational refolding and validation jobs, and ranks designs using composite metrics based on designability, Boltz-2 binding confidence, and ipSAE interaction strength.
Automated protein design assessment is achieved by submitting computational jobs to Lyceum for refolding and validation, scoring binding confidence with Boltz-2, evaluating interaction strength with ipSAE, and computing composite scores to rank the designs.
Yes, this Skill synchronizes and standardizes protein binder outputs from multiple design tools by collecting them into a central source of truth, requiring integration with S3 for data storage and Lyceum for GPU job submission.
Yes, you need Lyceum integration for GPU job submission and S3 for data storage to run these automated computational drug discovery workflows, enabling cross-validation and scoring of protein binder designs.
Composite scoring for ranking computational protein designs works by aggregating multiple evaluation metrics, including refolding designability, Boltz-2 binding confidence, and ipSAE interaction strength, into a unified score for prioritization.
alex-hhOrchestrate a complete protein design round from generation to publishing.
Yezez9Run molecular dynamics simulations and analyze trajectories with OpenMM and MDAnalysis.
NVIDIA-BioNeMoEvaluate directories of PDB files by orchestrating refolding and structural analysis workflows.
alex-hhDesign protein binders for 15-PGDH using BoltzGen on Lyceum.
