yinkaaiwu

Pinned Repositories

• web-server

  CO2 catalyst database fe demo 1.0

  Language:Vue4100

• fairchem

  FAIR Chemistry's library of machine learning methods for chemistry

  Language:Python95628257274

• networkx

  Network Analysis in Python

  Language:Python15.3k2813.2k3.3k

• AdsorbML

  Corresponding dataset and tools for the AdsorbML manuscript.

  Language:Jupyter Notebook38846

• MLHessian-TSopt

  Language:Jupyter Notebook14312

• sella

  A Python software package for saddle point optimization and minimization of atomic systems.

  Language:Python84113224

• ShellBean

  ShellBean issue tracker

  0191

yinkaaiwu's Repositories