yinkaaiwu

Pinned Repositories

• networkx

  Network Analysis in Python

  Language:Python14.5k3.2k

• submitit

  Python 3.8+ toolbox for submitting jobs to Slurm

  Language:Python1.2k115

• fairchem

  FAIR Chemistry's library of machine learning methods for chemistry

  Language:Python712234

• vasp-interactive

  Language:Jupyter Notebook5311

• finetuna

  Active Learning for Machine Learning Potentials

  Language:Python4211

• AdsorbML

  Corresponding dataset and tools for the AdsorbML manuscript.

  Language:Jupyter Notebook334

• NN-ensemble-relaxer

  Local geometry optimizer for molecules and crystals based on active learning with neural network ensemble

  Language:Jupyter Notebook144

• SingleNN

  SingleNN, a NN potential for energy and forces

  Language:Python81

• web-server

  CO2 catalyst database fe demo 1.0

  Language:Vue40

• shanghaitech-mirror-frontend

  Frontend of the ShanghaiTech Open Source Mirror

  Language:TypeScript20

yinkaaiwu's Repositories