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Kaisheng Song's Projects

cquthesis icon cquthesis

:pencil: 重庆大学毕业论文LaTeX模板---LaTeX Thesis Template for Chongqing University

deeplearning icon deeplearning

深度学习入门教程, 优秀文章, Deep Learning Tutorial

deeplearning-500-questions icon 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[email protected] 版权所有,违权必究 Tan 2018.06

dmc icon dmc

Diffusion Monte Carlo method

fi icon fi

The minimal generating sets (fundamental invariants) of invariant rings of symmetric groups for molecular systems.

fi-2 icon fi-2

Fundamental invariant polynomials for several prototypical systems

gaurelaxedscansplit icon gaurelaxedscansplit

Split structures of a Gaussian relaxed scan task and combine into a multi-trajectory xyz file.

hdnnp icon hdnnp

Python Implementation of High Dimentional Neural Network Potential 🐍🚀✨

hdnnp-2 icon hdnnp-2

high dimensional neural network potential

mechasvg icon mechasvg

Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.

n2p2 icon n2p2

n2p2 - A Neural Network Potential Package

pes-learn icon pes-learn

Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces

physnet2 icon physnet2

PhysNet program package for training of the PhysNet model and application in ASE and PyCHARMM

pycharmm-workshop icon 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.

pyvibdmc icon pyvibdmc

A general purpose library to study vibrational problems using diffusion monte carlo

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