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Py_xDH
Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realizationPyCrawfordProgProj
Crawford's Quantum Chemistry Exercises by Python approachQCQI_exercises
Solution to Nielsen & Chuang's Quantum Computation and Quantum Information in Chinese (only chapter 4-6 available >.<)FGO_Qt_Toolkit
Not finished projectajz34.readthedocs.io
Miscellaneous python code documents and ajz34's main blogalchemy-dgnn
Alchemy Competition (held by Tencent) program using dual graph (convolution) neural networkvdw
https://gitee.com/ajz34/vdw.gitKennard-Stone-Efficient
Efficiently implemented Kennard-Stone sampling algorithms for quite large datasetsdh
A trial to implement doubly-hybrid interface to PySCFXMU_MLCC_Workshop
厦门大学 机器学习-计算化学 Workshop (不太齐整的)资源233Comp-Phys-Koonin
Exercises for Computational Physics (by Koonin)FGO_Skill_from_Screenshot
Fate/Grand Order 技能练度截图读取工具 (草稿)phd-thesis
PhD thesis of my work in Fudan UniversityPsi4_xDH
ML_Course_Code_Report
Code report for Faber JCTC 2017 and Gilmer ICML 2017, as project report of a ML coursePyCrawfordProgProj-zh
Crawford 的量子化学程序练习 (通过 PySCF 实现)FGO_Qt_Toolkit_Database
Not finished FGO database for FGO_Qt_Toolkitajz34
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