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neovim Public
Forked from neovim/neovimVim-fork focused on extensibility and usability
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python Public
Forked from boostorg/pythonBoost.org python module
C++ Boost Software License 1.0 UpdatedNov 22, 2024 -
rdkit Public
Forked from rdkit/rdkitThe official sources for the RDKit library
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avogadrolibs Public
Forked from OpenChemistry/avogadrolibsAvogadro 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 UpdatedNov 21, 2024 -
iostreams Public
Forked from boostorg/iostreamsBoost.org iostreams module
C Boost Software License 1.0 UpdatedNov 21, 2024 -
gau2grid Public
Forked from dgasmith/gau2gridFast computation of a gaussian and its derivative on a grid.
Python BSD 3-Clause "New" or "Revised" License UpdatedNov 21, 2024 -
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
C++ GNU Lesser General Public License v3.0 UpdatedNov 21, 2024 -
pymatgen Public
Forked from materialsproject/pymatgenPython Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…
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rocBLAS Public
Forked from ROCm/rocBLASNext generation BLAS implementation for ROCm platform
C++ Other UpdatedNov 20, 2024 -
gunicorn Public
Forked from benoitc/gunicorngunicorn 'Green Unicorn' is a WSGI HTTP Server for UNIX, fast clients and sleepy applications.
Python Other UpdatedNov 20, 2024 -
doxygen Public
Forked from doxygen/doxygenOfficial doxygen git repository
C++ GNU General Public License v2.0 UpdatedNov 20, 2024 -
basis_set_exchange Public
Forked from MolSSI-BSE/basis_set_exchangeA repository for quantum chemistry basis sets
Python BSD 3-Clause "New" or "Revised" License UpdatedNov 20, 2024 -
llvm-project Public
Forked from llvm/llvm-projectThe LLVM Project is a collection of modular and reusable compiler and toolchain technologies.
LLVM Other UpdatedNov 20, 2024 -
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slurm Public
Forked from SchedMD/slurmSlurm: A Highly Scalable Workload Manager
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numpy Public
Forked from numpy/numpyThe fundamental package for scientific computing with Python.
Python Other UpdatedNov 20, 2024 -
scipy Public
Forked from scipy/scipySciPy library main repository
Python BSD 3-Clause "New" or "Revised" License UpdatedNov 20, 2024 -
avogadroapp Public
Forked from OpenChemistry/avogadroappAvogadro 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 UpdatedNov 18, 2024 -
The official Vim repository
Vim Script Vim License UpdatedNov 18, 2024 -
spack Public
Forked from spack/spackA flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Python Other UpdatedNov 15, 2024 -
nwchem Public
Forked from nwchemgit/nwchemNWChem: Open Source High-Performance Computational Chemistry
Fortran Other UpdatedNov 14, 2024 -
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SIRIUS Public
Forked from electronic-structure/SIRIUSDomain specific library for electronic structure calculations
C++ BSD 3-Clause "New" or "Revised" License UpdatedNov 14, 2024 -
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simple-dftd3 Public
Forked from dftd3/simple-dftd3reimplementation of the DFT-D3 program
Fortran GNU Lesser General Public License v3.0 UpdatedNov 14, 2024 -
dftd4 Public
Forked from dftd4/dftd4Generally Applicable Atomic-Charge Dependent London Dispersion Correction
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cpython Public
Forked from python/cpythonThe Python programming language
Python Other UpdatedNov 14, 2024 -
cppinsights Public
Forked from andreasfertig/cppinsightsC++ Insights - See your source code with the eyes of a compiler
C++ MIT License UpdatedNov 14, 2024 -
Quantum chemistry and solid state physics software package
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