AFLOW Materials Discovery
SkillDatabases & dataAFLOW automatic materials discovery skill for high-throughput DFT calculations and materials database queries
Instructions available. Your AI can read the instructions. Execution depends on the setup they require.
Account requirements not reviewed. Check the skill instructions before use; ahel provides instructions and does not run this skill.
Add ahel to your AI once: Claude, ChatGPT, Cursor, Claude Code or Codex. Then ask it to use this.
Then ask your AI: use the AFLOW Materials Discovery skill
What this skill tells your AI
The instructions your AI receives, as published by a5c-ai/babysitter in library/specializations/domains/science/physics/skills/aflow-materials-discovery/SKILL.md and read by ahel’s review.
Purpose
Provides expert guidance on AFLOW for high-throughput materials discovery, including database queries, workflow generation, and machine learning integration.
Capabilities
- AFLOW database API queries
- Automatic workflow generation
- Thermodynamic stability analysis
- Prototype structure generation
- Descriptor calculation
- Machine learning integration
Usage Guidelines
- Database Queries: Search AFLOW database for materials
- Workflow Generation: Create automatic DFT workflows
- Stability Analysis: Analyze thermodynamic stability
- Prototypes: Generate crystal structure prototypes
- ML Integration: Calculate descriptors for ML models
Tools/Libraries
- AFLOW
- aflow.py
- Materials Project API
Signals
- GitHub stars
- 2k
- Forks
- 112
- Last commit
- Sep 2026
Advanced
- Item type
- skill
- Key
aflow-materials-discovery- Source
- github.com/a5c-ai/babysitter
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