zhujieli's Stars
d2l-ai/d2l-zh
《动手学深度学习》:面向中文读者、能运行、可讨论。中英文版被70多个国家的500多所大学用于教学。
JuliaLang/julia
The Julia Programming Language
amix/vimrc
The ultimate Vim configuration (vimrc)
mbadolato/iTerm2-Color-Schemes
Over 325 terminal color schemes/themes for iTerm/iTerm2. Includes ports to Terminal, Konsole, PuTTY, Xresources, XRDB, Remmina, Termite, XFCE, Tilda, FreeBSD VT, Terminator, Kitty, MobaXterm, LXTerminal, Microsoft's Windows Terminal, Visual Studio, Alacritty, and many more
bokeh/bokeh
Interactive Data Visualization in the browser, from Python
amueller/word_cloud
A little word cloud generator in Python
xianhu/LearnPython
以撸代码的形式学习Python
lijin-THU/notes-python
中文 Python 笔记
ownthink/KnowledgeGraphData
史上最大规模1.4亿中文知识图谱开源下载
Jannchie/Historical-ranking-data-visualization-based-on-d3.js
[Deprecated!] This is a data visualization project that converts historical data rankings into dynamic bar charts.
berkeleydeeprlcourse/homework
Assignments for CS294-112.
MDAnalysis/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
laike9m/pdir2
Pretty dir() printing with joy:beer:
openjournals/joss-reviews
Reviews for the Journal of Open Source Software
gromacs/gromacs
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
materialsintelligence/mat2vec
Supplementary Materials for Tshitoyan et al. "Unsupervised word embeddings capture latent knowledge from materials science literature", Nature (2019).
bendichter/brokenaxes
Create matplotlib plots with broken axes
thisiscam/math-with-slack
Rendered math (MathJax) with Slack's desktop client
jewettaij/moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
hackingmaterials/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
Colvars/colvars
Collective variables library for molecular simulation and analysis programs
shirtsgroup/InterMol
Conversion tool for molecular simulations
libAtoms/matscipy
Materials science with Python at the atomic-scale
materialsproject/custodian
A simple, robust and flexible just-in-time job management framework in Python.
orest-d/p4vasp
p4vasp, the VASP Visualization Tool
MobleyLab/alchemical-analysis
An open tool implementing some recommended practices for analyzing alchemical free energy calculations
ElsevierSoftwareX/SOFTX-D-16-00070
python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/S2352711016300395. To cite the Software Update Publication: https://www.sciencedirect.com/science/article/pii/S2352711018300141.
agiliopadua/clandpol
Polarisable force field for ionic liquids
txemaotero/large-molecule-pbc-packing
Python script to generate random molecular configurations taking into account periodic boundary conditions for large molecules
yifeimichelle/ASTrA
ASTrA: Atomistic Supercapacitor Trajectory Analysis