Pinned Repositories
awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
awesome-deep-learning
A curated list of awesome Deep Learning tutorials, projects and communities.
awesome-python-chemistry
A curated list of Python packages related to chemistry
CQUThesis
:pencil: 重庆大学毕业论文LaTeX模板---LaTeX Thesis Template for Chongqing University
CustomizedFcn
use a custom function in NN fitting in matlab
DeepLearning
深度学习入门教程, 优秀文章, Deep Learning Tutorial
DeepLearning-500-questions
深度学习500问，以问答形式对常用的概率知识、线性代数、机器学习、深度学习、计算机视觉等热点问题进行阐述，以帮助自己及有需要的读者。 全书分为18个章节，50余万字。由于水平有限，书中不妥之处恳请广大读者批评指正。 未完待续............ 如有意合作，联系scutjy2015@163.com 版权所有，违权必究 Tan 2018.06
deeplearningbook-chinese
Deep Learning Book Chinese Translation
DMC
Diffusion Monte Carlo method
EANN
kshsong's Repositories
kshsong/awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
kshsong/awesome-deep-learning
A curated list of awesome Deep Learning tutorials, projects and communities.
kshsong/awesome-python-chemistry
A curated list of Python packages related to chemistry
kshsong/CQUThesis
:pencil: 重庆大学毕业论文LaTeX模板---LaTeX Thesis Template for Chongqing University
kshsong/CustomizedFcn
use a custom function in NN fitting in matlab
kshsong/DeepLearning
深度学习入门教程, 优秀文章, Deep Learning Tutorial
kshsong/DeepLearning-500-questions
深度学习500问，以问答形式对常用的概率知识、线性代数、机器学习、深度学习、计算机视觉等热点问题进行阐述，以帮助自己及有需要的读者。 全书分为18个章节，50余万字。由于水平有限，书中不妥之处恳请广大读者批评指正。 未完待续............ 如有意合作，联系scutjy2015@163.com 版权所有，违权必究 Tan 2018.06
kshsong/EANN
kshsong/fortran-NeuralNetwork
Simple implementation of a neural network, implemented in fortran.
kshsong/GauRelaxedScanSplit
Split structures of a Gaussian relaxed scan task and combine into a multi-trajectory xyz file.
kshsong/GauRigidScanSplit
Split Gaussian rigid scan output file to a multi-frame xyz file.
kshsong/HDNNP-2
high dimensional neural network potential
kshsong/High-Dimensional-Neural-Network-Potential
Fortran implementation of a high dimensional neural network potential
kshsong/mechaSVG
Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.
kshsong/n2p2
n2p2 - A Neural Network Potential Package
kshsong/PhysNet
Code for training PhysNet models
kshsong/physnet-pycharmm
kshsong/PhysNet2
PhysNet program package for training of the PhysNet model and application in ASE and PyCHARMM
kshsong/Post-RPMDrate
kshsong/pyCHARMM-Workshop
pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24.
kshsong/Python-100-Days
Python - 100天从新手到大师
kshsong/pyvibdmc
A general purpose library to study vibrational problems using diffusion monte carlo
kshsong/REANN
kshsong/RMSD-finder
Program to determine the minimal RMSD between two atomic configurations
kshsong/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
kshsong/SciencePlots
Matplotlib styles for scientific plotting
kshsong/sGDML
sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model
kshsong/viviDMC
kshsong/vpt2_tutorial-PhysNet
Tutorial describing the use of external potential energy surfaces (PhysNet) in Gaussian for the calculation of VPT2 Frequencies
kshsong/xyz2mol
Converts an xyz file to an RDKit mol object