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StructBioReasoner
StructBioReasoner には IDeA-ANL-ORNL から収集した 10 個の skills があり、リポジトリ単位の職業カバレッジとサイト内 skill 詳細ページを表示します。
このリポジトリの skills
Search and select enzyme sequence homologs from a database. Use when users provide a query sequence and want to discover sequence homologs of the query sequence in a database.
Scientific reasoning via Jnana CoScientist — hypothesis generation, evaluation, and parameter bounding
Molecular dynamics simulations using OpenMM with MDAgent-style automation and free energy calculations via MM-PBSA
Convert scientific papers into executable computational workflows and MCP tools
Protein language model embeddings, diversity sampling, and mutation prediction using ESM or GenSLM
Protein structure prediction using Chai-1 or AlphaFold with confidence scoring, quality assessment, and critic evaluation
Analysis of molecular dynamics trajectories (RMSD, RMSF, contacts, hotspot analysis)
Computational peptide binder design using BindCraft pipeline (ProteinMPNN inverse folding + Chai/ESMFold structure validation + energy scoring + quality control)
HPC-scale literature mining and retrieval-augmented generation for structural biology
Multiple sequence alignment and conservation analysis using MUSCLE