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adaptivedesignprocedure icon adaptivedesignprocedure

A design procedure of the training data for Machine Learning algorithms able to iteratively add datapoints according to function discrete gradient

caj2pdf icon caj2pdf

Convert CAJ (China Academic Journals) files to PDF. 转换**知网 CAJ 格式文献为 PDF。佛系转换,成功与否,皆是玄学。

deepdft icon deepdft

Official implementation of DeepDFT model

gocia icon gocia

Global Optimizer for Clusters, Interfaces, and Adsorbates

theoretical-electrocatalysis icon theoretical-electrocatalysis

In this repository, we will summarise the procedure of theoretical simulation in electrocatalytic system, it will be a huge task, but it will be interesting to do in the lowdown.

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