WangHuaipeng's Stars
sgl-project/sglang
SGLang is a fast serving framework for large language models and vision language models.
shannon-lab/input.examples.LAMMPS
Input files and examples for plasma-surface interactions using molecular dynamics simulations with LAMMPS
ACEsuit/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
zerothi/sisl
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
OpenInterpreter/open-interpreter
A natural language interface for computers
jevantang/chatgpt-prompts
分门别类的 ChatGPT 中文引导语大全。
libnegf/libnegf
tfrederiksen/inelastica
Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT
stiegerc/winterface
Interface of Wannier90 with Quantum Transport.
deepmodeling/DeePTB
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
mytiros/Toolbox4Tiros
BerkeleyGW/BerkeleyGW-examples
BerkeleyGW examples
ltalirz/epw-school-2021
2021 Virtual School on Electron-Phonon Physics and the EPW code
yangjio4849/TransOpt
The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical conductivities, and electronic thermal conductivities) by using (1) the momentum matrix method (Method 1) or (2) derivative method same as adopted in BoltzTrap (Method 2).
acheong08/ChatGPT
Reverse engineered ChatGPT API
yambo-code/yambopy
Python scripts to manage and postprocess quantum espresso and yambo calculation.
sheriftawfikabbas/pyphotonics
deepmodeling/deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
MDIL-SNU/SIMPLE-NN_v2
zerothi/ts-tbt-sisl-tutorial
Tutorials for the sisl-TBtrans-TranSiesta suite
K4ys4r/BoltzGnu
BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data
mzjb/DeepH-pack
Deep neural networks for density functional theory Hamiltonian.
fslongjin/This-repo-has-1426-stars
这个仓库有1426个star,不信你试试
llodeiro/DensityTool
DensityTool post-processing program for VASP
zhenxingwang/lammps-conp
Constant potential method in LAMMPS
mertyigit/INDEEDopt
An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.
pipidog/DFTtoolbox
A toolbox for quickly build inputs and analyze results of DFT codes
SGenheden/Seminario
Tool to compute bond and angle force field parameters with the Seminario method
fenggo/I-ReaxFF
I-ReaxFF: stand for Intelligent-Reactive Force Field
raman-sc/VASP
Python program to evaluate off-resonance Raman activity using VASP code as the backend.