dadaoqiuzhi

dadaoqiuzhi's Stars

• labmlai/annotated_deep_learning_paper_implementations

  🧑‍🏫 60+ Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, sophia, ...), gans(cyclegan, stylegan2, ...), 🎮 reinforcement learning (ppo, dqn), capsnet, distillation, ... 🧠

  Language:Python56.7k4591325.8k

• Embarcadero/Dev-Cpp

  A fast, portable, simple, and free C/C++ IDE

  Language:Pascal2.6k59283279

• pyscf/pyscf

  Python module for quantum chemistry

  Language:Python1.3k801.5k586

• jewettaij/moltemplate

  A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies

  Language:Python257146399

• mzjb/DeepH-pack

  Deep neural networks for density functional theory Hamiltonian.

  Language:Python24775151

• pierrehirel/atomsk

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

  Language:Fortran205185675

• ovilab/atomify

  Atomify - a realtime LAMMPS visualizer

  Language:C++1511942522

• wcventure/chatgpt_academic

  中科院科研工作专用ChatGPT，特别优化学术Paper润色体验，支持自定义快捷按钮，支持markdown表格显示，Tex公式双显示，代码显示功能完善，新增本地Python工程剖析功能/自我剖析功能

  Language:Python55004

• dadaoqiuzhi/RMD_Digging

  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based on MATLAB language, including formatting the reactive force field parameters, statistic anasysis of structures, trajectories and mechanisms and output of the visualization files.

  Language:MATLAB36229

• fenggo/I-ReaxFF

  I-ReaxFF: stand for Intelligent-Reactive Force Field

  Language:Python293310

• Auto-Mech/MESS

  Master Equation system solver for determining (P,T)-dependent phenomenological rate constants

  Language:C++192214

• cathedralpkg/Pilgrim

  A thermal rate constant calculator and kinetics Monte Carlo Simulator

  Language:Python13342

• mz8879813/LammpsPostprocessing

  Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data

  Language:C++12001

• hendrikfrentrup/mdDiffusionToolbox

  Post-process LAMMPS output files for diffusion coefficients

  Language:Python11200

• iMiku/GO-creator-lmp

  generate lammps data file of graphene oxide

  Language:Python7104

• ruanyangry/Lammps-analysis-code

  This repository contained Fortran and python code used to analysis lammps output file.

  Language:Python5201

• run-towards-the-future/SW_REAXFF

  An efficient and scalable implement for ReaxFF in LAMMPS

  Language:C++4211

• tsenftle/ReaxFF-GCMC

  Distributed as part of the publication "A ReaxFF Molecular Dynamics/Monte Carlo Method for Investigating Lithiation in Si/Polymer Anodes"

  Language:Python4101

• rengesser/Reaction-diffusion-simulator

  Small toolbox for simulating reaction diffusion equations in MATLAB using finite differences.

  Language:MATLAB3411

• dadaoqiuzhi/annotated_deep_learning_paper_implementations

  🧑‍🏫 59 Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, ...), gans(cyclegan, stylegan2, ...), 🎮 reinforcement learning (ppo, dqn), capsnet, distillation, ... 🧠

  Language:Jupyter Notebook1000

• dadaoqiuzhi/Polymer_radiolytic_kinetics

  Multiscale simulation of radiolytic polymer

  Language:MATLAB1100

• KitchinHUB/kitchingroup-63

  Neural Network and ReaxFF comparison for Au properties http://dx.doi.org/10.1002/qua.25115

  Language:TeX1401

• kmmukut/ReaxFFGPU

  copy of the work done here: https://gitlab.msu.edu/SParTA/PuReMD.git

  Language:GLSL130

• RestartNeverLate/XAgent

  An Autonomous LLM Agent for Complex Task Solving

  Language:TypeScript100