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computational-chemistryresearch

dreams

Agentic materials discovery and DFT simulation framework using ASE, Quantum ESPRESSO, and Claude LLMs via LangGraph.

Ver código-fontecomputational-chemistry
lamm-mit
maintainer
lamm-mit
Atualizado 3/25/2026
Estrelas
156
Forks
35
quick start

Installation and usage

Agentic materials discovery and DFT simulation framework using ASE, Quantum ESPRESSO, and Claude LLMs via LangGraph.

Instalação
$ install --globalskills.sh
Uso

Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:

skills use dreams