Repositories list

• DeePKS-L

  Public
  a package for developing machine learning-based chemically accurate energy and density functional models

  Python

  •

  GNU Lesser General Public License v3.0

  •37•0•0•1•Updated Jan 16, 2025Jan 16, 2025

• TEAS

  Public
  Typical Examples of Atomistic Simulations

  Roff

  •1•0•0•0•Updated Jan 8, 2025Jan 8, 2025

• abacus-develop

  Public
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.

  C++

  •

  GNU Lesser General Public License v3.0

  •166•0•0•0•Updated Jan 8, 2025Jan 8, 2025

• abacus-user-guide

  Public
  ABACUS开源软件的中文用户文档

  HTML

  •9•17•0•1•Updated Dec 30, 2024Dec 30, 2024

• aiida-abacus

  Public
  AiiDA plugin for ABACUS

  Python

  •

  MIT License

  •0•0•0•0•Updated Dec 13, 2024Dec 13, 2024

• Candela

  Public
  Collection of ANalysis DEsigned for Large-scale Atomic simulations

  C++

  •

  GNU Lesser General Public License v3.0

  •4•11•0•0•Updated Sep 16, 2024Sep 16, 2024

• PP_Collection

  Public
  Pseudopotentials and Numerical Atomic Orbitals used in Our Group

  Roff

  •0•0•0•0•Updated Oct 9, 2023Oct 9, 2023

• deep-light

  Public
  use deep learning to compute light transmission

  Python

  •2•0•6•0•Updated Jul 14, 2023Jul 14, 2023

• abacus-developer-doc

  Public
  ABACUS开源软件的中文开发者文档

  HTML

  •2•0•0•0•Updated Jun 16, 2023Jun 16, 2023

• mcresearch.github.io

  Public
  0•0•0•0•Updated Mar 14, 2023Mar 14, 2023

• DP_collection

  Public
  Deep Potential (DP) generated by our group

  0•0•0•0•Updated Sep 11, 2022Sep 11, 2022

• nndl.github.io

  Public
  《神经网络与深度学习》 邱锡鹏著 Neural Network and Deep Learning

  HTML

  •3.6k•0•0•0•Updated May 5, 2022May 5, 2022

• lanthanides-nc-pseudos

  Public
  Convert norm-conserving Lanathinde pseudopotentials from GTH to UPF format

  Shell

  •3•0•0•0•Updated Mar 25, 2022Mar 25, 2022