molclaw-peptide-sampling
OfficialGenerate diverse peptide molecules efficiently.
AuthorInternScience
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill automates the generation of peptide and peptide-like molecules to accelerate library design, scaffold exploration, and variant creation without manual SMILES editing.
Core Features & Use Cases
- Template-based generation: Create peptides from predefined structural templates with controlled masked positions to explore scaffold diversity.
- Sequence-based variant generation: Produce analogs by modifying a user-provided peptide sequence and receive output SMILES for downstream processing.
- Information queries and guidance: Inspect available templates and supported amino acids, choose filter presets and MW constraints, and verify actual generation counts with retry guidance for insufficient outputs.
- Use Case: Generate a focused set of tetrapeptide variants for virtual screening by selecting a template, sampling parameters, and MW bounds.
Quick Start
Generate 50 tetrapeptide variants using the tetrapeptide_mask_middle template with default filters and an MW range of 400 to 800.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: molclaw-peptide-sampling Download link: https://github.com/InternScience/MolClaw/archive/main.zip#molclaw-peptide-sampling Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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