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aoapc-book

Automatically exported from code.google.com/p/aoapc-book

atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

awesome-cpp-cn

C++ 资源大全中文版，标准库、Web应用框架、人工智能、数据库、图片处理、机器学习、日志、代码分析等

cefocat-public

Code for the Ceramic/Metallic Foam Catalysts project.

colvars

Collective variables module for molecular simulation and analysis programs

d2l-zh

《动手学深度学习》，英文版即伯克利深度学习（STAT 157，2019春）教材。面向中文读者、能运行、可讨论。

fertilizer-management-for-global-ammonia-emission-reduction

Code for this paper

fluidfreeenergyforlammps

Fluid-phase Free-energy Calculation package for LAMMPS

geography-of-open-source-software

gromacs

Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use Gerrit for code review and Redmine for issue tracking.

hello-world

interview

📚 C/C++面试基础知识总结

lammps

Public development project of the LAMMPS MD software package

lammps01

machine-learning-toy-code

《机器学习》（西瓜书）代码实战

models

Models and examples built with TensorFlow

numpy

The fundamental package for scientific computing with Python.

openiec

OpenIEC: An open-source code for interfacial energy calculation in alloys

openmc

OpenMC Monte Carlo Code

opensees

OpenSees Source Code Repository

opls-aam

Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files

ovito

pizza

Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for the LAMMPS molecular dynamics package.

plot_scripts_matplotlib

pumpkin-book

《机器学习》（西瓜书）公式推导解析，在线阅读地址：https://datawhalechina.github.io/pumpkin-book

py-mcmd

This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles

pyema

Experimental and operational modal analysis

pyfrf

Frequency response function as used in structural dynamics

pyidi

Python Image Displacement Identification

pysindy

A package for the sparse identification of nonlinear dynamical systems from data