ase
claudeAtomistic structure manipulation, file-format conversion, supercells, surfaces, and geometry optimization with ASE
1 skill
6
claude
bayes-opt
Bayesian optimization for expensive material and molecular properties using Ax and BoTorch
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Plugin bayes-opt from marketplace multiscale-materials-modelling-marketplace in WuGroup-XJTLU/cc-skills-ZhenghaoWu-Group. Commands read from the repo's manifest — 1 month ago.
What it installs
Skills (1)
bayes-optUse when optimizing material compositions, polymer sequences, molecular structures, or any expensive-to-evaluate property where each evaluation requires simulation or experiment. Also use when the user mentions Bayesian optimization for materials, black-box optimization with categorical variables, o
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