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Achievement: Pair Extraordinairex3Achievement: QuickdrawAchievement: Mars 2020 ContributorAchievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor

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  • rdkit Public

    Forked from rdkit/rdkit

    The official sources for the RDKit library

    HTML 1 BSD 3-Clause "New" or "Revised" License Updated Mar 19, 2025

  • oneDNN Public

    Forked from uxlfoundation/oneDNN

    oneAPI Deep Neural Network Library (oneDNN)

    C++ Apache License 2.0 Updated Mar 19, 2025

  • SMAC3 Public

    Forked from automl/SMAC3

    SMAC3: A Versatile Bayesian Optimization Package for Hyperparameter Optimization

    Python Other Updated Mar 19, 2025

  • neovim Public

    Forked from neovim/neovim

    Vim-fork focused on extensibility and usability

    Vim Script 1 Other Updated Mar 19, 2025

  • vim Public

    Forked from vim/vim

    The official Vim repository

    Vim Script Vim License Updated Mar 19, 2025

  • dftd4 Public

    Forked from dftd4/dftd4

    Generally Applicable Atomic-Charge Dependent London Dispersion Correction

    Fortran 1 GNU Lesser General Public License v3.0 Updated Mar 17, 2025

  • avogadrolibs Public

    Forked from OpenChemistry/avogadrolibs

    Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

    C++ BSD 3-Clause "New" or "Revised" License Updated Mar 17, 2025

  • avogadroapp Public

    Forked from OpenChemistry/avogadroapp

    Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

    C++ BSD 3-Clause "New" or "Revised" License Updated Mar 16, 2025

  • .vim Public

    my .vim configuration

    TypeScript 1 Updated Mar 15, 2025

  • modulefiles Public

    Tcl Updated Mar 14, 2025

  • .config Public

    XDG_CONFIG_HOME

    Updated Mar 13, 2025

  • llvm-project Public

    Forked from llvm/llvm-project

    The LLVM Project is a collection of modular and reusable compiler and toolchain technologies.

    LLVM Other Updated Mar 12, 2025

  • zdotdir Public

    Shell Updated Mar 10, 2025

  • gloo Public

    Forked from facebookincubator/gloo

    Collective communications library with various primitives for multi-machine training.

    C++ Other Updated Mar 10, 2025

  • slurm Public

    Forked from SchedMD/slurm

    Slurm: A Highly Scalable Workload Manager

    C 1 Other Updated Mar 10, 2025

  • scipy Public

    Forked from scipy/scipy

    SciPy library main repository

    Python BSD 3-Clause "New" or "Revised" License Updated Mar 10, 2025

  • numpy Public

    Forked from numpy/numpy

    The fundamental package for scientific computing with Python.

    Python Other Updated Mar 10, 2025

  • InChI Public

    Forked from IUPAC-InChI/InChI

    Main InChI repository

    C MIT License Updated Mar 5, 2025

  • cpython Public

    Forked from python/cpython

    The Python programming language

    Python Other Updated Mar 1, 2025

  • rocminfo Public

    Forked from ROCm/rocminfo

    ROCm Application for Reporting System Info

    C++ Other Updated Feb 26, 2025

  • rocm_smi_lib Public

    Forked from ROCm/rocm_smi_lib

    ROCm SMI LIB

    C++ MIT License Updated Feb 26, 2025

  • ompi Public

    Forked from open-mpi/ompi

    Open MPI main development repository

    C Other Updated Feb 26, 2025

  • cppinsights Public

    Forked from andreasfertig/cppinsights

    C++ Insights - See your source code with the eyes of a compiler

    C++ MIT License Updated Feb 20, 2025

  • cpp-d4 Public

    Forked from dftd4/cpp-d4

    C++ port of DFT-D4

    C++ GNU Lesser General Public License v3.0 Updated Feb 20, 2025

  • cp2k Public

    Forked from cp2k/cp2k

    Quantum chemistry and solid state physics software package

    Fortran 1 GNU General Public License v2.0 Updated Feb 20, 2025

  • SIRIUS Public

    Forked from electronic-structure/SIRIUS

    Domain specific library for electronic structure calculations

    C++ BSD 3-Clause "New" or "Revised" License Updated Feb 9, 2025

  • spglib Public

    Forked from spglib/spglib

    C library for finding and handling crystal symmetries

    C BSD 3-Clause "New" or "Revised" License Updated Feb 9, 2025

  • openpbs Public

    Forked from openpbs/openpbs

    An HPC workload manager and job scheduler for desktops, clusters, and clouds.

    C Other Updated Feb 8, 2025

  • oneMKL Public

    Forked from uxlfoundation/oneMath

    oneAPI Math Kernel Library (oneMKL) Interfaces

    C++ Apache License 2.0 Updated Feb 5, 2025

  • emmet Public

    Forked from materialsproject/emmet

    Be a master builder of databases of material properties. Avoid the Kragle.

    Python Other Updated Feb 5, 2025