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awesome

😎 Awesome lists about all kinds of interesting topics

awesome-datascience

:memo: An awesome Data Science repository to learn and apply for real world problems.

caj2pdf_gui

caj2pdf gui程序: 转换**知网 CAJ 格式文献为 PDF。佛系转换，成功与否，皆是玄学。

chemical_vae

Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

d2l-zh

《动手学深度学习》

data-analysis

Data Analysis Using Python

deep-learning-materials

This repository contained Stanford, Oxford and Hung-yi Lee Deep Learning course materials.

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

dl-qa

利用深度学习算法学习QA系统

docsentimentanalysis

Syntax and Ruler-Based Doc sentiment analysis 基于依存句法规则的篇章级情感分析demo

fasttext-study

学习fastText进行文本分类

forcebalance

Systematic force field optimization.

gensim

Topic Modelling for Humans

gromacs-free-energy-calculation

This repository contained python code used to do organic free energy calculation. Reference: http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/index.html; https://github.com/ruanyangry/gromacs-lammps-process-simulation.

gromacs-ion-water-simulation

This repository contained python code used to do ion water system simulation.

gromacs-lammps-process-simulation

This repository contained python code used to do gromacs and lammps molecular dynamics simulation. Process to generate topology files compatible with AMBER force field (GAFF). Automatically generate simulation control files for gromacs and lammps.

handson-ml

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in python using Scikit-Learn and TensorFlow.

hanlp

自然语言处理 中文分词 词性标注 命名实体识别 依存句法分析 关键词提取 新词发现 短语提取 自动摘要 文本分类 拼音简繁

hyperparameter-optimization

1. Grid Search 2. Random Search 3. Bayesian Optimization

kaggle_tianchi_data

contain kaggle and tianchi data

keras

Deep Learning for humans

keras_nlp_study

基于keras/examples中的NLP案例进行改写和测试

kmclib

A kinetic Monte Carlo Python/C++ library.

lammps-analysis-code

This repository contained Fortran and python code used to analysis lammps output file.

lammps-data

Using single molecule data file build bulk system data file. Inspired by gromcas .itp file and .top. If you are good at using gromcs and you want to use the lammps software for a special function simulation.This code can conveniently obtain the configuration file of the bulk phase topology.

lammps_interface

automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs

lectures

Oxford Deep NLP 2017 course

machine-learning-in-action-book-scripts

machine-learning-in-materials

This repository contained python code to do supervise learning and unsupervise learning in materials field.

machine-learning-in-materials-characterization

This repository contained python code used to analysis Material microstructure and spectral data. Reference https://github.com/pycroscopy.