en un clic
StructBioReasoner
StructBioReasoner contient 10 skills collectées depuis IDeA-ANL-ORNL, avec une couverture métier par dépôt et des pages de détail sur le site.
Skills dans ce dépôt
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