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30 packages
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nwchemcross-devPublished
Jul 5, 2023 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles29k -
nwchemcross-720Published
Jul 14, 2023 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles28.8k -
nwchem-devPublished
Nov 10, 2021 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles21.4k -
nwchem-720Published
Nov 1, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles21.3k -
nwchem-dev-nvfortranPublished
Oct 31, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles6.19k -
nwchem-720-nvfortranPublished
Nov 17, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles5.55k -
nwchem-dev.nersc.mpich4_no_openmp.mpi-prPublished
Nov 1, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles4.93k -
nwchem-dev.nersc.mpich4.mpi-prPublished
Nov 1, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles4.93k -
nwchem-720.nersc.mpich4.mpi-prPublished
Nov 1, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles4.93k -
nwchem-720.nersc.mpich4_no_openmp.mpi-prPublished
Nov 1, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles4.63k -
nwchem-dev.nersc.mpich4_no_openmp.mpi-pr.nvfortranPublished
Nov 21, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles3.23k -
nwchemcross-730-mpi-prPublished
Oct 31, 2025 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles3.01k -
nwchem-720.nersc.mpich4_no_openmp.mpi-pr.nvfortranPublished
Nov 21, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles2.87k -
nwchem-dev/amd64Published
Nov 15, 2021 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles2.37k -
nwchemcross-dev-mpi-tsPublished
Mar 14, 2025 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.75k -
nwchemcross-dev-mpi-prPublished
Mar 14, 2025 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.61k -
nwchemcross-731-mpi-prPublished
Dec 19, 2025 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.54k -
nwchem-dev.mpipr.nersc_old_no_openmpPublished
Apr 22, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.52k -
nwchem-702.mpipr.nerscPublished
Mar 11, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.5k -
nwchem-dev.mpipr.nerscPublished
Mar 10, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.48k -
nwchem-dev.nersc.mpich4_no_openmp.mpi-ptPublished
Nov 1, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.44k -
nwchem-720.nersc.mpi-prPublished
Nov 1, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.44k -
nwchem-702.mpipr.nersc_no_openmpPublished
Apr 22, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.41k -
nwchem-dev.mpipr.nersc_no_openmpPublished
Apr 22, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.41k -
nwchem-720/amd64Published
Oct 28, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.4k -
nwchem-dev.nersc_no_openmp.mpi-prPublished
Nov 1, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.39k -
nwchem-dev.mpipr.nersc_oldPublished
Apr 22, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.37k -
nwchem-dev.nersc.mpich4.mpi-ptPublished
Nov 1, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.37k -
nwchem-dev.nersc.mpi-prPublished
Nov 1, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.34k -
nwchem-720.nersc.mpich4.mpi-ptPublished
Nov 1, 2022 by NWChem: Open Source High-Performance Computational Chemistry in nwchemgit/nwchem-dockerfiles1.32k