Pinned Repositories
AlloyNet
CLUSTER-ANALYSIS-USING-VMD-TCL
Kapakayala Anji Babu , IIT Kanpur, India.
md-analysis-tools
scripts for analyzing molecular dynamics trajectories using VMD
PMF
VMD script to Calculate Potential Mean Force
CatKit
General purpose tools for high-throughput catalysis
catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
ChengLabToolkits
store my personal code for post processing
Coursera-ML-AndrewNg-Notes
吴恩达老师的机器学习课程个人笔记
DARMMI
A software for Data Analysis of Reaction Mechanisms and Molecular Information, to be used with ReaxFF simulation results
dipole_calculator
calculates the dipole moment of water in ReaxFF simulations
jiaozihao18's Repositories
jiaozihao18/ocp
https://opencatalystproject.org/
jiaozihao18/CatKit
General purpose tools for high-throughput catalysis
jiaozihao18/in2o3_ov
INCAR and POSCAR files for in2o3_ov
jiaozihao18/finetuna
Active Learning for Machine Learning Potentials
jiaozihao18/catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
jiaozihao18/AlloyNet
jiaozihao18/ML_ipynb
jiaozihao18/ChengLabToolkits
store my personal code for post processing
jiaozihao18/lihang-code
李航《统计学习方法》的课后题代码实现
jiaozihao18/Coursera-ML-AndrewNg-Notes
吴恩达老师的机器学习课程个人笔记
jiaozihao18/NP_ML
只用numpy实现经典机器学习算法
jiaozihao18/ML-notes
notes about machine learning
jiaozihao18/Lihang
Statistical learning methods, 统计学习方法(第2版)[李航] [笔记, 代码, notebook, 参考文献, Errata, lihang]
jiaozihao18/PMF
VMD script to Calculate Potential Mean Force
jiaozihao18/md_utils
A variety of scripts to aid MD simulations, especially with Lammps.
jiaozihao18/TCL_VMD_scripts
Some of useful tcl scripts to analyse data from VMD
jiaozihao18/LammpsPostprocessing
Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data
jiaozihao18/dipole_calculator
calculates the dipole moment of water in ReaxFF simulations
jiaozihao18/CLUSTER-ANALYSIS-USING-VMD-TCL
Kapakayala Anji Babu , IIT Kanpur, India.
jiaozihao18/DARMMI
A software for Data Analysis of Reaction Mechanisms and Molecular Information, to be used with ReaxFF simulation results
jiaozihao18/md-analysis-tools
scripts for analyzing molecular dynamics trajectories using VMD
jiaozihao18/gromacs-scripts
A collection of scripts which I have developed to use GROMACS, for both compute clusters and post-simulation analysis.
jiaozihao18/VMDDipoleViewer
TCL/TK script analyses magnitude and vector of dipoles.