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 for RDP Wrapper Library by Stas'M

python libray for IAPWS standard calculation of water and steam properties

n2p2 - A Neural Network Potential Package

Installable VMD as a python module

The deep potential generator

I-ReaxFF: stand for Intelligent-Reactive Force Field

An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.

Training reactive potentials with on the fly regularization and uncertainty quantification

The course materials for "Machine Learning in Chemistry 101"

C++ Programming Tutorial in Chemistry

苹果IO80211Controller调用

a master equation system solver

Python version of the amazing Reaction Mechanism Generator (RMG).

code for "A global pathway selection algorithm for the reduction of detailed chemical kinetic mechanisms" (Gao et al., CNF'16)

Tools for performing vibrational analysis on molecular systems.

Python - 100天从新手到大师

Singularity container

Optimize Your Kinetic Model with One Click

Use deep learning to learn a turbulence model from high fedelity data. The model can reasonably predict other turbulent flows.

A python API to the Xiaomi Mi WiFi Router web interface

SLIP LINE ANGLE FINDER - this code calculates back pressure of reflect of two oblique shocks/expansion fan

learning SLAM,curse,paper and others

Create hardcoded species and reaction rate subroutines from Chemkin-style mechanisms

A GUI/command line tool for managing results of ORCA CASSCF calculations

A Python interface for working with CHEMKIN