tkaray's Stars
iRASPA/RASPA3
mir-group/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
gedoor/legado
Legado 3.0 Book Reader with powerful controls & full functions❤️阅读3.0, 阅读是一款可以自定义来源阅读网络内容的工具,为广大网络文学爱好者提供一种方便、快捷舒适的试读体验。
hityingph/supporting-info
This GitHub repository contains additional information supporting published manuscripts
clash-verge-rev/clash-verge-rev
Continuation of Clash Verge - A Clash Meta GUI based on Tauri (Windows, MacOS, Linux)
deepmodeling/dpgen2
2nd generation of the Deep Potential GENerator
Molcas/OpenMolcas
The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry software package. The key feature of OpenMolcas is the multiconfigurational approach to the electronic structure.
mlcclab/PyRAI2MD-hiam
Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics
grimme-lab/xtb4stda
sTDA-xTB Hamiltonian for ground state
LlamaFamily/Llama-Chinese
Llama中文社区,Llama3在线体验和微调模型已开放,实时汇总最新Llama3学习资料,已将所有代码更新适配Llama3,构建最好的中文Llama大模型,完全开源可商用
robinzyb/cp2kdata
cp2k postprocessing tools
dralgroup/mlatom
AI-enhanced computational chemistry
tproffen/DiffuseCode
Suite of programs to simulate disordered and nanomaterials
YellProgram/Yell
Yell is a program for diffuse scattering interpretation using the 3D-∆PDF refinement.
DeepSorption/DeepSorption1.0
zzzgydi/clash-verge
A Clash GUI based on tauri. Supports Windows, macOS and Linux.
chenggroup/ai2-kit
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
abatsakidis/PDFDeSecure
An easy-to-use PDF Unlocker. Remove copy-protection from PDF files.
007gzs/meeting
开源会议室预约小程序+Django服务端后台
ZkKeith/gromacs_cp2k_singularity
This is gromacs interface with cp2k by singularity which is convenient for users to migrate this programe
imagej/imagej2
Open scientific N-dimensional image processing :microscope: :sparkler:
aglie/meerkat
A python program for performing reciprocal space reconstruction from single crystal x-ray measurements.
deepmodeling/Uni-Mol
Official Repository for the Uni-Mol Series Methods
abbodi1406/KMS_VL_ALL_AIO
Smart Activation Script
iRASPA/RUPTURA
massgravel/Microsoft-Activation-Scripts
A Windows and Office activator using HWID / Ohook / KMS38 / Online KMS activation methods, with a focus on open-source code and fewer antivirus detections.
uhub/awesome-matlab
A curated list of awesome Matlab frameworks, libraries and software.
Wookai/paper-tips-and-tricks
Best practice and tips & tricks to write scientific papers in LaTeX, with figures generated in Python or Matlab.
CharlesHahn/DuIvyTools
A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).
tamaswells/CP2K_scripts