Pinned Repositories
Deep-Learning-materials
This repository contained Stanford, Oxford and Hung-yi Lee Deep Learning course materials.
fastText-Study
学习fastText进行文本分类
forcebalance
Systematic force field optimization.
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.
Lammps-analysis-code
This repository contained Fortran and python code used to analysis lammps output file.
Machine-Learning-in-Materials-Characterization
This repository contained python code used to analysis Material microstructure and spectral data. Reference https://github.com/pycroscopy.
Sentence_Similarity
句子相似性计算，使用TF-IDF,LSI,LDA
Sentiment_Analysis_cnn_lstm_cnnlstm_textcnn_bilstm
利用CNN,LSTM,CNN_LSTM,TextCNN,Bi-LSTM和传统的机器学习算法进行情感分析，参考：https://github.com/Edward1Chou/SentimentAnalysis
ruanyangry's Repositories
ruanyangry/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.
ruanyangry/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.
ruanyangry/Lammps-analysis-code
This repository contained Fortran and python code used to analysis lammps output file.
ruanyangry/gromacs-ion-water-simulation
This repository contained python code used to do ion water system simulation.
ruanyangry/forcebalance
Systematic force field optimization.
ruanyangry/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.
ruanyangry/lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
ruanyangry/lectures
Oxford Deep NLP 2017 course
ruanyangry/Machine-Learning-in-Action-Book-scripts
ruanyangry/Machine-Learning-in-Materials
This repository contained python code to do supervise learning and unsupervise learning in materials field.
ruanyangry/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
ruanyangry/pycroscopy
Scientific analysis of nanoscale materials imaging data
ruanyangry/pycse
Python computations in science and engineering
ruanyangry/chemical_vae
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
ruanyangry/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
ruanyangry/KMCLib
A kinetic Monte Carlo Python/C++ library.
ruanyangry/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
ruanyangry/ParmEd
Parameter/topology editor and molecular simulator
ruanyangry/poem_generator
Generate Chinese poem automatically.
ruanyangry/pycse-data_analysis-code
This repository contained python data analysis code. By learning you will understand statistics, linear algebra, differentials, integrals, drawing, and programming. If you are interested in this part, please refer to https://github.com/jkitchin/pycse.
ruanyangry/pyPRISM
A framework for conducting polymer reference interaction site model (PRISM) calculations
ruanyangry/rdkit
The official sources for the RDKit library
ruanyangry/scientific-python-lectures
Lectures on scientific computing with python, as IPython notebooks.
ruanyangry/scikit-learn
scikit-learn: machine learning in Python
ruanyangry/Spark-ML-study
https://zhuanlan.zhihu.com/p/24320870
ruanyangry/web-scraping-with-python-book-scripts
ruanyangry/yank
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.