ajz34/phd-thesis

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ajz34/phd-thesis

ajz34

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PhD thesis of my work in Fudan University

Py_xDH

Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization

PyCrawfordProgProj

Crawford's Quantum Chemistry Exercises by Python approach

Jupyter Notebook

QCQI_exercises

Solution to Nielsen & Chuang's Quantum Computation and Quantum Information in Chinese (only chapter 4-6 available >.<)

Jupyter Notebook

FGO_Qt_Toolkit

Not finished project

ajz34.readthedocs.io

Miscellaneous python code documents and ajz34's main blog

Jupyter Notebook

alchemy-dgnn

Alchemy Competition (held by Tencent) program using dual graph (convolution) neural network

vdw

https://gitee.com/ajz34/vdw.git

Kennard-Stone-Efficient

Efficiently implemented Kennard-Stone sampling algorithms for quite large datasets

dh

A trial to implement doubly-hybrid interface to PySCF

XMU_MLCC_Workshop

厦门大学机器学习-计算化学 Workshop (不太齐整的)资源233

Comp-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)

Jupyter Notebook

Psi4_xDH

Jupyter Notebook

ML_Course_Code_Report

Code report for Faber JCTC 2017 and Gilmer ICML 2017, as project report of a ML course

PyCrawfordProgProj-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_Toolkit

Jupyter Notebook

Python-xDH

Experimental implementation of xDH with Python and PySCF

ajz34

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