Pinned Repositories
AppleIntelWifiAdapter
苹果IO80211Controller调用
CASculator
A GUI/command line tool for managing results of ORCA CASSCF calculations
CCC-Model-Optimizer
Optimize Your Kinetic Model with One Click
create_rate_subs
Create hardcoded species and reaction rate subroutines from Chemkin-style mechanisms
CX1
Deep-Learning-Turbulence-model
Use deep learning to learn a turbulence model from high fedelity data. The model can reasonably predict other turbulent flows.
GPS
code for "A global pathway selection algorithm for the reduction of detailed chemical kinetic mechanisms" (Gao et al., CNF'16)
I-ReaxFF
I-ReaxFF: stand for Intelligent-Reactive Force Field
lmp_reax
post code for paper "Assessment on the Rings Cleavage Mechanism of Polycyclic Aromatic Hydrocarbons in Supercritical Water: A ReaxFF Molecular Dynamics Study"
vibAnalysis
Tools for performing vibrational analysis on molecular systems.
haoxy97's Repositories
haoxy97/I-ReaxFF
I-ReaxFF: stand for Intelligent-Reactive Force Field
haoxy97/CCC-Model-Optimizer
Optimize Your Kinetic Model with One Click
haoxy97/GPS
code for "A global pathway selection algorithm for the reduction of detailed chemical kinetic mechanisms" (Gao et al., CNF'16)
haoxy97/vibAnalysis
Tools for performing vibrational analysis on molecular systems.
haoxy97/AppleIntelWifiAdapter
苹果IO80211Controller调用
haoxy97/CASculator
A GUI/command line tool for managing results of ORCA CASSCF calculations
haoxy97/create_rate_subs
Create hardcoded species and reaction rate subroutines from Chemkin-style mechanisms
haoxy97/CX1
haoxy97/Deep-Learning-Turbulence-model
Use deep learning to learn a turbulence model from high fedelity data. The model can reasonably predict other turbulent flows.
haoxy97/lmp_reax
post code for paper "Assessment on the Rings Cleavage Mechanism of Polycyclic Aromatic Hydrocarbons in Supercritical Water: A ReaxFF Molecular Dynamics Study"
haoxy97/dpgen
The deep potential generator
haoxy97/EStokTP
haoxy97/flocky
Training reactive potentials with on the fly regularization and uncertainty quantification
haoxy97/iapws
python libray for IAPWS standard calculation of water and steam properties
haoxy97/INDEEDopt
An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.
haoxy97/lammps-gpu-docker
Singularity container
haoxy97/MESS
a master equation system solver
haoxy97/ML-in-chemistry-101
The course materials for "Machine Learning in Chemistry 101"
haoxy97/n2p2
n2p2 - A Neural Network Potential Package
haoxy97/ProgrammingProjects
C++ Programming Tutorial in Chemistry
haoxy97/PyChemkin
A Python interface for working with CHEMKIN
haoxy97/pymiwifi
A python API to the Xiaomi Mi WiFi Router web interface
haoxy97/Python-100-Days
Python - 100天从新手到大师
haoxy97/RateFit
haoxy97/rdpwrap.ini
RDPWrap.ini for RDP Wrapper Library by Stas'M
haoxy97/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
haoxy97/slam
learning SLAM,curse,paper and others
haoxy97/slipline-matlab
SLIP LINE ANGLE FINDER - this code calculates back pressure of reflect of two oblique shocks/expansion fan
haoxy97/vmd-python
Installable VMD as a python module
haoxy97/XJTU-thesis
西安交通大学学位论文模板（LaTeX）（适用硕士、博士学位）An official LaTeX template for Xi'an Jiaotong University degree thesis (Chinese and English)