example_csp_on_the_fly.py - Githubissues

qzhu2017 / CSP_BO

Crystal Structure Prediction with Bayesian Optimization

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example_csp_on_the_fly.py #21

Open qzhu2017 opened 4 years ago

qzhu2017 commented 4 years ago

[ ] Pre-train a model with GPR/NN, CSP
[ ] Prepare a vasp version
[ ] Try it on CMS
[ ] Try it on Stampede2