nkuhuxu

nkuhuxu's Stars

• jianglst/PES_model_for_alkaline_HER

  Language:Jupyter Notebook33

• plandex-ai/plandex

  AI driven development in your terminal. Designed for large, real-world tasks.

  Language:Go10.1k705

• aronwalsh/MLforMaterials

  Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)

  Language:Jupyter Notebook496

• dissorial/doc-chatbot

  Document chatbot — multiple files, topics, chat windows and chat history. Powered by GPT.

  Language:TypeScript799134

• RokasEl/mace-mp-umap

  UMAP analysis using a pretrained MACE model

  Language:Python81

• Yangxinsix/curator

  A flexible workflow for on-the-fly learning of interatomic potential models.

  Language:Python191

• ntq1982/Amp

  Amp: Atomistic Machine-learning Package

  Language:Python1

• Yangxinsix/painn-sli

  This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interfaces"

  Language:Python162

• mir-group/nequip

  NequIP is a code for building E(3)-equivariant interatomic potentials

  Language:Python570129

• OUnke/SpookyNet

  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"

  Language:Python6512

• MMunibas/PhysNet

  Code for training PhysNet models

  Language:Python8927

• vanderhe/fortnet

  Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.

  Language:Fortran296

• hoon-ock/CatBERTa

  Large Language Model for Catalyst Property Prediction

  Language:Python192

• QMCPACK/qmcpack

  Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

  Language:C++286135

• jianchang512/clone-voice

  A sound cloning tool with a web interface, using your voice or any sound to record audio / 一个带web界面的声音克隆工具，使用你的音色或任意声音来录制音频

  Language:Python6.8k671

• peterbjorgensen/DeepDFT

  Official implementation of DeepDFT model

  Language:Python548

• ulissigroup/charge-density-models

  Language:Python102

• zhoubolei/bolei_awesome_posters

  CVPR and NeurIPS poster examples and templates. May we have in-person poster session soon!

  1.3k124

• invemichele/masterclass-22-03

  Repository of the data for PLUMED Masterclass 22.3

  Language:Roff91

• libAtoms/QUIP

  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io

  Language:Fortran342124

• jianchang512/pyvideotrans

  Translate the video from one language to another and add dubbing. 将视频从一种语言翻译为另一种语言，并添加配音

  Language:Python8.3k923

• xinychen/latex-cookbook

  LaTeX论文写作教程 (清华大学出版社)

  Language:Jupyter Notebook1.3k148

• SWeav02/warrenapp

  An app designed to add warren lab settings and workflows to Simmate

  Language:Python4

• zoowe/VASPsol

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

  Language:Fortran4

• raman-sc/VASP

  Python program to evaluate off-resonance Raman activity using VASP code as the backend.

  Language:Python15378

• artificial-scientist-lab/FutureOfAIviaAI

  Predicting the Future of AI with AI: High-quality link prediction in an exponentially growing knowledge network

  Language:Jupyter Notebook716

• sringe/catmap-1

  Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

  Language:Python13

• MGEdata/Action_extractor

  We propose a semi-supervised text mining method to capture alloy synthesis and processing insights.

  Language:Python41

• anderskm/gputil

  A Python module for getting the GPU status from NVIDA GPUs using nvidia-smi programmically in Python

  Language:Python1.1k119

• tjunewson/AIMDprobe

  Language:Python4