data-driven materials and molecular science
data-driven materials and molecular science
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LLM-DFT-input-generation
LLM-DFT-input-generation PublicHere we plan use LLMs to generate input files for different DFT packages
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- ml-peg Public
ML Performance and Extrapolation Guide (reference deployment https://ml-peg.stfc.ac.uk)
- data Public
- spin_dynamics Public
- camml-tutorials Public
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- data-tutorials Public
- LLM-DFT-input-generation Public
Here we plan use LLMs to generate input files for different DFT packages
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