-
-
mcp-hackathon-fall-2025 Public
Forked from CrackingShells/mcp-hackathon-fall-2025Python GNU Affero General Public License v3.0 UpdatedNov 27, 2025 -
-
NTPoly Public
A massively parallel library for computing the functions of sparse matrices.
-
-
bigdft-suite-feedstock Public
Forked from conda-forge/bigdft-suite-feedstockA conda-smithy repository for bigdft-suite.
Shell BSD 3-Clause "New" or "Revised" License UpdatedNov 19, 2025 -
accmat Public
Experimenting with Claude code to design a suitable GPU sparse matrix library
Fortran UpdatedAug 26, 2025 -
GEMMul8 Public
Forked from RIKEN-RCCS/GEMMul8GEMMul8 (GEMMulate): GEMM emulation using int8 matrix engines based on the Ozaki Scheme2
C++ MIT License UpdatedAug 14, 2025 -
SALMON2 Public
Forked from SALMON-TDDFT/SALMON2SALMON 2.0.0 Development Repository
Fortran Apache License 2.0 UpdatedAug 5, 2025 -
install_DFTFE Public
Forked from dftfeDevelopers/install_DFTFEInstallation and run scripts for https://github.com/dftfeDevelopers/dftfe on various machines (OLCF Frontier, NERSC Perlmutter, ALCF Polaris, UMICH Greatlakes)
Shell UpdatedMay 17, 2025 -
toml-f Public
Forked from toml-f/toml-fTOML parser implementation for data serialization and deserialization in Fortran
Fortran Apache License 2.0 UpdatedOct 22, 2024 -
pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
Python Apache License 2.0 UpdatedAug 31, 2024 -
CompoundScripts Public
Forked from ORCAQuantumChemistry/CompoundScriptsCollection of 'compound scripts' for use with the ORCA quantum chemistry software
Other UpdatedAug 15, 2024 -
RSDFT_DEVELOP Public
Forked from j-iwata/RSDFT_DEVELOPFortran Apache License 2.0 UpdatedJul 5, 2024 -
sphinx-to-github Public
Forked from michaeljones/sphinx-to-githubSphinx extension & script to prepare Sphinx html output for github pages.
Python Other UpdatedJul 6, 2023 -
abinit-feedstock Public
Forked from conda-forge/abinit-feedstockA conda-smithy repository for abinit.
Shell BSD 3-Clause "New" or "Revised" License UpdatedJun 2, 2023 -
libxc-feedstock Public
Forked from conda-forge/libxc-feedstockA conda-smithy repository for libxc.
Shell BSD 3-Clause "New" or "Revised" License UpdatedMay 31, 2023 -
ntpoly-feedstock Public
Forked from conda-forge/ntpoly-feedstockA conda-smithy repository for ntpoly.
BSD 3-Clause "New" or "Revised" License UpdatedMay 23, 2023 -
-
bigdft-mac-ci Public
Forked from BigDFT-group/bigdft-mac-ciUse github action's to verifiy the compilation of BigDFT on a Mac
Shell UpdatedMar 3, 2023 -
resources Public
Forked from BigDFT-group/resourcesRepository containing various resources related to the code execution and data
UpdatedFeb 6, 2023 -
-
staged-recipes Public
Forked from conda-forge/staged-recipesA place to submit conda recipes before they become fully fledged conda-forge feedstocks
Python BSD 3-Clause "New" or "Revised" License UpdatedNov 3, 2022 -
bigdft-school Public
Forked from BigDFT-group/bigdft-schoolColab notebooks to execute BigDFT school tutorials
Jupyter Notebook UpdatedSep 22, 2022 -
-
dftbplus Public
Forked from dftbplus/dftbplusDFTB+ general package for performing fast atomistic simulations
Fortran Other UpdatedSep 1, 2022 -
ContainerXP Public
Forked from BigDFT-group/ContainerXPBigDFT Container Related Files
Jupyter Notebook UpdatedJun 1, 2022 -
gfortran_osx-64-feedstock Public
Forked from conda-forge/gfortran_osx-64-feedstockA conda-smithy repository for gfortran_osx-64.
Shell BSD 3-Clause "New" or "Revised" License UpdatedMay 13, 2022 -
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 UpdatedMar 28, 2022 -
nwchem Public
Forked from nwchemgit/nwchemNWChem: Open Source High-Performance Computational Chemistry
Fortran Other UpdatedJan 17, 2022
{{ message }}