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100-days-of-ml-code

100-Days-Of-ML-Code中文版

2017-cmp

computational physics class - 2017 fall

ase_tools

Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.

atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

aubo-deep-object-grasping

Performing pick and place operations using deep learning algorithms GPD and YOLO with the Aubo Robotic Manipulator.

band_emc

Post-process the VASP output files to obtain the Fermi surface, (fat) band structures, and effective mass.

bapt

Band alignment plotting tool

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

charged-defects

charged-defects-1

charged defect analysis

charged-defects-framework

python and bash scripts for setting up and post-processing of charged defects calculations

chatgpt

Reverse engineered ChatGPT API

chatgpt_academic

科研工作专用ChatGPT拓展，特别优化学术Paper润色体验，支持自定义快捷按钮，支持markdown表格显示，Tex公式双显示，代码显示功能完善，新增本地Python工程剖析功能/自我剖析功能

cococrab

Co-Optimization of Composition in CrabNet

coulomb-correction-in-charged-defects

Correction to spurious coulomb interaction between periodic images in charged defect calculation

courseramachinelearning

Coursera Machine Learning By Prof. Andrew Ng

cplap

CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of the constituent elements' chemical potentials within which it is stable, in comparison with competing phases and the elemental forms.

crystallography

A code to generate crystal structure

deeph-pack

Deep neural networks for density functional theory Hamiltonian.

defect-formation-calculation

defect-formation-energy

defectcorrectionsnotebook

A jupyter notebook workflow for performing post-processing finite-size corrections to periodic electronic structure calculations of charged defect supercells compatible with outputs from the software package FHI-aims.

densitytool

DensityTool post-processing program for VASP

dft-book

A book on modeling materials using VASP, ase and vasp

dmcp

edm-public-dataset

This repository lists the common public dataset used in educational data mining community.

effec_mass

Python implementation for hyperbolic fit to band effective mass

effective_mass_calculator

some tools to calculate the effective mass

effective_mass_tensor

effectivemass

Materials Studio (DMol3 and CASTEP) tools for calculating effective mass and electron density difference.