Azaharo's repositories
lmp_reax
post code for paper "Assessment on the Rings Cleavage Mechanism of Polycyclic Aromatic Hydrocarbons in Supercritical Water: A ReaxFF Molecular Dynamics Study"
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)
rdpwrap.ini
RDPWrap.ini for RDP Wrapper Library by Stas'M
iapws
python libray for IAPWS standard calculation of water and steam properties
n2p2
n2p2 - A Neural Network Potential Package
vmd-python
Installable VMD as a python module
dpgen
The deep potential generator
INDEEDopt
An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.
flocky
Training reactive potentials with on the fly regularization and uncertainty quantification
ML-in-chemistry-101
The course materials for "Machine Learning in Chemistry 101"
ProgrammingProjects
C++ Programming Tutorial in Chemistry
AppleIntelWifiAdapter
苹果IO80211Controller调用
MESS
a master equation system solver
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
vibAnalysis
Tools for performing vibrational analysis on molecular systems.
Python-100-Days
Python - 100天从新手到大师
lammps-gpu-docker
Singularity container
CCC-Model-Optimizer
Optimize Your Kinetic Model with One Click
Deep-Learning-Turbulence-model
Use deep learning to learn a turbulence model from high fedelity data. The model can reasonably predict other turbulent flows.
pymiwifi
A python API to the Xiaomi Mi WiFi Router web interface
slipline-matlab
SLIP LINE ANGLE FINDER - this code calculates back pressure of reflect of two oblique shocks/expansion fan
slam
learning SLAM,curse,paper and others
create_rate_subs
Create hardcoded species and reaction rate subroutines from Chemkin-style mechanisms
CASculator
A GUI/command line tool for managing results of ORCA CASSCF calculations
PyChemkin
A Python interface for working with CHEMKIN