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    • ABACUS开源软件的中文用户文档
      HTML
      133601Updated Jan 7, 2026Jan 7, 2026
    • DeePKS-L

      Public
      a package for developing machine learning-based chemically accurate energy and density functional models
      Python
      39100Updated Dec 26, 2025Dec 26, 2025
    • A repository for the implementation of common workflow interfaces across materials-science codes and plugins
      Python
      37000Updated Dec 18, 2025Dec 18, 2025
    • AiiDA plugin for ABACUS
      Python
      24100Updated Dec 15, 2025Dec 15, 2025
    • cereal

      Public
      A C++11 library for serialization
      C++
      822000Updated Nov 20, 2025Nov 20, 2025
    • An electronic structure package based on either plane wave basis or numerical atomic orbitals.
      C++
      187000Updated Oct 24, 2025Oct 24, 2025
    • Distributed memory, MPI based SuperLU
      C
      77000Updated Oct 23, 2025Oct 23, 2025
    • Scripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification
      Python
      19000Updated Aug 19, 2025Aug 19, 2025
    • A Python package for manipulating atomistic data of software in computational science
      Python
      152000Updated Jul 7, 2025Jul 7, 2025
    • GKlib

      Public
      A library of various helper routines and frameworks used by many of the lab's software
      C
      93000Updated Jul 5, 2025Jul 5, 2025
    • METIS

      Public
      METIS - Serial Graph Partitioning and Fill-reducing Matrix Ordering
      C
      200000Updated Jul 4, 2025Jul 4, 2025
    • Pseudopotentials and Numerical Atomic Orbitals used in Our Group
      Roff
      0000Updated Jun 6, 2025Jun 6, 2025
    • Candela

      Public
      Collection of ANalysis DEsigned for Large-scale Atomic simulations
      C++
      61201Updated Jan 21, 2025Jan 21, 2025
    • TEAS

      Public
      Typical Examples of Atomistic Simulations
      Roff
      1000Updated Jan 8, 2025Jan 8, 2025
    • ParMETIS

      Public
      ParMETIS - Parallel Graph Partitioning and Fill-reducing Matrix Ordering
      C
      62000Updated Dec 8, 2023Dec 8, 2023
    • use deep learning to compute light transmission
      Python
      3060Updated Jul 14, 2023Jul 14, 2023
    • ABACUS开源软件的中文开发者文档
      HTML
      2000Updated Jun 16, 2023Jun 16, 2023
    • 0000Updated Mar 14, 2023Mar 14, 2023
    • Deep Potential (DP) generated by our group
      0000Updated Sep 11, 2022Sep 11, 2022
    • 《神经网络与深度学习》 邱锡鹏著 Neural Network and Deep Learning
      HTML
      3.7k000Updated May 5, 2022May 5, 2022
    • Convert norm-conserving Lanathinde pseudopotentials from GTH to UPF format
      Shell
      3000Updated Mar 25, 2022Mar 25, 2022