training-set-selection

There are 0 repository under training-set-selection topic.

binghuang2018 / aqml
Amons-based quantum machine learning for quantum chemistry
quantum-chemistry machine-learning cheminformatics training-set-selection kernel-ridge-regression multi-fidelity-krr active-learning molecular-representation
Language:Python 24
binghuang2018 / agz7
Amons with up to 7 heavy atoms for GDB7 and ZINC
quantum-chemistry training-set-selection quantum-machine-learning organic-chemistry dataset amons
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