ml-generative-adit
OfficialGenerate new crystals and molecules with ADiT.
Education & Research#generate#MCP tools#materials discovery#crystal structures#molecule generation#diffusion model
Authorlearningmatter-mit
Version1.0.0
Installs0
System Documentation
What problem does it solve?
It enables rapid generation of novel atomistic structures—both periodic crystals and non-periodic molecules—so researchers can expand candidate sets for downstream simulation and screening instead of relying only on hand-designed starting points.
Core Features & Use Cases
- Crystal structure generation (CIF): Produces periodic materials candidates from the MP20 learned distribution using ADiT’s latent diffusion model.
- Molecule generation (XYZ): Produces non-periodic molecular candidates from the QM9 learned distribution using the same unified model.
- Workflow integration: Feeds generated structures directly into relaxation, stability checks (e.g., E_hull), and property prediction steps.
Quick Start
Use the ADiT MCP tool to generate 10 crystal structures into your chosen output directory.
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: ml-generative-adit Download link: https://github.com/learningmatter-mit/AtomisticSkills/archive/main.zip#ml-generative-adit Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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