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ai-learns-to-play-the-dino-game

asfem

A Simple Finite Element Method program (AsFem)

aten

Molecular / atomic coordinate editor

atomman

Atomistic Manipulation Toolkit

awesome-python-chemistry

A curated list of Python packages related to chemistry

awesome-python-md

cantera

Chemical kinetics, thermodynamics, and transport tool suite

cfdpython

A sequence of Jupyter notebooks featuring the "12 Steps to Navier-Stokes" http://lorenabarba.com/

chemics

A Python package for chemical reactor engineering

conda

Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)

crnn-python

datascience

Data Science in Julia course for JuliaAcademy.com, taught by Huda Nassar

doc

dockerfiles

dpgen

The deep potential generator

fastai

The fast.ai deep learning library, lessons, and tutorials

fessa-color-palette

fftool

Tool to build force field input files for molecular simulation.

finalspeed

高速双边加速软件,在高丢包,延迟环境下仍可达到90%物理带宽利用率.

flameshot

Powerful yet simple to use screenshot software

gaussian-python-scripts

Some Python scripts for automating gaussian and analyzing the output.

gittest

gro2lam

Gromacs to Lammps simulation converter

gromacs-lammps-process-simulation

This repository contained python code used to do gromacs and lammps molecular dynamics simulation. Process to generate topology files compatible with AMBER force field (GAFF). Automatically generate simulation control files for gromacs and lammps.

hello-world

my hello world practice

i-reaxff

I-ReaxFF: stand for Intelligent-Reactive Force Field

interview-notebook

:calendar: 准备秋招学习笔记

iprpy

NIST Interatomic Potential Repository property calculation tools

lammps

lammps-1

Public development project of the LAMMPS MD software package