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    11 repositories

    • 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
      •167•0•0•0•Updated Nov 4, 2024Nov 4, 2024

    • kfr

      Public
      Fast, modern C++ DSP framework, FFT, Sample Rate Conversion, FIR/IIR/Biquad Filters (SSE, AVX, AVX-512, ARM NEON)
      C++
      •
      GNU General Public License v2.0
      •256•0•0•0•Updated Nov 1, 2024Nov 1, 2024

    • Neural-Network-Models-for-Chemistry

      Public
      A collection of Nerual Network Models for chemistry
      16•0•0•0•Updated Nov 1, 2024Nov 1, 2024

    • pyiron

      Public
      pyiron - an integrated development environment (IDE) for computational materials science.
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •50•0•0•0•Updated Oct 22, 2024Oct 22, 2024

    • awesome-quantum-software

      Public
      Curated list of open-source quantum software projects.
      Creative Commons Zero v1.0 Universal
      •323•0•0•0•Updated Oct 6, 2024Oct 6, 2024

    • cfdtool

      Public
      CFDTool - An easy to use OpenFOAM / SU2 / CFD simulation toolbox
      MATLAB
      •
      Other
      •22•0•0•0•Updated Jun 25, 2024Jun 25, 2024

    • teachopencadd

      Public
      TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
      Jupyter Notebook
      •
      Creative Commons Attribution 4.0 International
      •208•0•0•0•Updated Feb 28, 2024Feb 28, 2024

    • molformer

      Public
      Repository for MolFormer
      Jupyter Notebook
      •
      Apache License 2.0
      •43•0•0•0•Updated Apr 20, 2023Apr 20, 2023

    • MolFlow

      Public
      Python
      •
      Apache License 2.0
      •0•0•0•0•Updated Dec 19, 2022Dec 19, 2022

    • advanced-simulation-studio

      Public
      The poducts plan, let's fighting for Material Studios !!!
      MIT License
      •0•0•0•0•Updated Dec 3, 2022Dec 3, 2022

    • mldl-md-dynamics

      Public
      A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
      54•0•0•0•Updated Feb 28, 2021Feb 28, 2021