Zhangquan2018

Zhangquan2018's Stars

• lcmd-epfl/volcanic

  A program to automatically generate volcano plots for catalysis.

  Language:Python122

• lcmd-epfl/mikimo

  A program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions using energy data.

  Language:Python71

• rougier/scientific-visualization-book

  An open access book on scientific visualization using python and matplotlib

  Language:Python10.7k993

• wesm/pydata-book

  Materials and IPython notebooks for "Python for Data Analysis" by Wes McKinney, published by O'Reilly Media

  Language:Jupyter Notebook22.3k15.2k

• QG-phy/TBSOC

  Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.

  Language:Jupyter Notebook246

• ACEsuit/mace

  MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

  Language:Python554205

• thunil/Physics-Based-Deep-Learning

  Links to works on deep learning algorithms for physics problems, TUM-I15 and beyond

  1.7k304

• materialsvirtuallab/m3gnet

  Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.

  Language:Python24262

• sheriftawfikabbas/oganesson

  Language:Python82

• sheriftawfikabbas/pyphotonics

  Language:Python1613

• QijingZheng/VaspBandUnfolding

  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.

  Language:Python21592

• liming-liu/pyvaspwfc

  a python class for dealing with VASP WAVECAR.

  Language:Python61

• PKUFlyingPig/cs-self-learning

  计算机自学指南

  Language:HTML58.3k6.9k

• 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:Python56.6k5.8k

• binary-husky/gpt_academic

  为GPT/GLM等LLM大语言模型提供实用化交互接口，特别优化论文阅读/润色/写作体验，模块化设计，支持自定义快捷按钮&函数插件，支持Python和C++等项目剖析&自译解功能，PDF/LaTex论文翻译&总结功能，支持并行问询多种LLM模型，支持chatglm3等本地模型。接入通义千问, deepseekcoder, 讯飞星火, 文心一言, llama2, rwkv, claude2, moss等。

  Language:Python66k8.1k

• hellozhaoming/FCP-vasp-ase

  ASE interface for fully constant potential with VASP

  Language:Python289

• zoowe/tpot

  Language:Fortran92

• zoowe/VASPsol

  Solvation model for the plane wave DFT code VASP http://vaspsol.mse.ufl.edu/

  Language:Fortran4

• sringe/CatINT

  1D continuum transport modeling suite, solving the PNP equation

  Language:Python72

• jzhang-github/AGAT

  Atomic Graph ATtention networks

  Language:Python15

• zoushucai/zotero-journalabbr

  zotero期刊缩写

  Language:JavaScript1298

• issp-center-dev/HPhi

  Quantum Lattice Model Simulator Package

  Language:Shell9125

• LaurentNevou/Light_PhotonicCrystal_2D

  Band diagram and Field of 2D photonic cristal

  Language:MATLAB3813

• zhaonat/cluster_monte_carlo

  Exploration of metropolis-hastings (local) and Uli Wolff (cluster) algorithms on the Ising Model

  Language:Python2711

• shellofnuts/Modified_Ising_Model

  Monte-Carlo implementation of an anisotropic 2D Heisenberg Model. Used to predict magnetic order in Metal-Organic Frameworks.

  Language:Jupyter Notebook62

• golddoushi/tight-binding-core

  To construct and solve the tight-binding model with friendly GUI.

  Language:Python53

• VlachosGroup/renview

  The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifying dominant reaction pathways and mechanism reduction.

  Language:Python2211

• joelager/Electrocatalysis-microkinetic-analysis

  Microkinetic models for electrochemical CO stripping and hydrogen oxidation

  Language:Jupyter Notebook136

• geem-lab/overreact

  ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

  Language:Python5110

• CatTheoryDTU/kinetic-modelling-CO2R

  Kinetics modelling scripts for CO2 to CO scaling paper

  51