Repositories list

• SI_SBA

  Public
  supporting information for SBA article

  Python

  •0•0•0•0•Updated Mar 7, 2025Mar 7, 2025

• symmetrizer

  Public
  molecule symmetrizer

  C++

  •0•0•0•0•Updated May 8, 2024May 8, 2024

• SI_zeolite_article

  Public
  Supplemental Information for article "Unveiling the Structure‒Surface Energy Relationship of Zeolites through Machine Learning".

  HTML

  •0•0•0•0•Updated Apr 6, 2024Apr 6, 2024

• ML-Assisted_Surface_Structure_Prediction

  Public
  SI for article "Machine learning predicts atomistic structures of multielement solid surfaces for heterogeneous catalysts in variable environments"

  1•0•0•0•Updated Apr 4, 2024Apr 4, 2024

• python

  Public
  Rust

  •

  GNU General Public License v3.0

  •0•2•0•0•Updated Feb 22, 2024Feb 22, 2024

• spdkit

  Public
  spdkit: Structure Predication Development Kit

  computational-chemistrystructure-prediction

  Rust

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Apr 29, 2023Apr 29, 2023

• spdkit-surface

  Public
  Structure predition tools for surface slab model

  Rust

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Mar 7, 2023Mar 7, 2023

• magman

  Public
  Python

  •0•0•0•0•Updated Feb 14, 2022Feb 14, 2022

• reaction-explore

  Public
  Reaction Explorer

  0•0•0•0•Updated May 6, 2019May 6, 2019

• reaction-view

  Public
  Reaction Viewer

  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Apr 23, 2019Apr 23, 2019