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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.

dpgen

The deep potential generator

estoktp

flocky

Training reactive potentials with on the fly regularization and uncertainty quantification

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

iapws

python libray for IAPWS standard calculation of water and steam properties

indeedopt

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

lammps-gpu-docker

Singularity container

lmp_reax

post code for paper "Assessment on the Rings Cleavage Mechanism of Polycyclic Aromatic Hydrocarbons in Supercritical Water: A ReaxFF Molecular Dynamics Study"

mess

a master equation system solver

ml-in-chemistry-101

The course materials for "Machine Learning in Chemistry 101"

n2p2

n2p2 - A Neural Network Potential Package

programmingprojects

C++ Programming Tutorial in Chemistry

pychemkin

A Python interface for working with CHEMKIN

pymiwifi

A python API to the Xiaomi Mi WiFi Router web interface

python-100-days

Python - 100天从新手到大师

ratefit

rdpwrap.ini

RDPWrap.ini for RDP Wrapper Library by Stas'M

rmg-py

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

slam

learning SLAM,curse,paper and others

slipline-matlab

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

vibanalysis

Tools for performing vibrational analysis on molecular systems.

vmd-python

Installable VMD as a python module

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)