Pinned Repositories
AIMD
This is a set of Matlab scripts that can plot MSD graph and calculate the diffusivity using XDATCAR files from VASP
Data-Science-Cheatsheet
A helpful 4-page data science cheatsheet to assist with exam reviews, interview prep, and anything in-between.
Determine-the-initial-structure-of-c-LLZO
DynaPhoPy
Phonon anharmonicity analysis from molecular dynamics
enumlib-feedstock
A conda-smithy repository for enumlib.
handson-ml2
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
lattice_mc
Lattice gas Monte Carlo simulation code
polyhedral-analysis
python_for_data_analysis_2nd_chinese_version
《利用Python进行数据分析·第2版》
VaspVib2XSF
Visualize vibrational modes from VASP calculations
yu-yang-sjtu's Repositories
yu-yang-sjtu/mse_machine_learning_workshop
yu-yang-sjtu/INCAR
A generic INCAR file for the density functional theory package VASP
yu-yang-sjtu/VASP_XDATCAR
A python class for parsing VASP XDATCAR from molecular dynamics
yu-yang-sjtu/workshop-2016
Assets for the Materials Project workshop in Aug 2016