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grace-tensorpotential Public
Forked from ICAMS/grace-tensorpotentialGRACE models and gracemaker (as implemented in TensorPotential package)
Python Other UpdatedApr 30, 2026 -
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mpl-third-party Public
Forked from matplotlib/mpl-third-partyThird-party Packages Webpage
Python UpdatedApr 6, 2026 -
mlip-feedstock Public
Forked from conda-forge/mlip-feedstockA conda-smithy repository for mlip.
Shell BSD 3-Clause "New" or "Revised" License UpdatedMar 25, 2026 -
pyiron_workflow Public
Forked from pyiron/pyiron_workflowGraph-and-node based workflows
Python BSD 3-Clause "New" or "Revised" License UpdatedMar 4, 2026 -
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libvdwxc-feedstock Public
Forked from conda-forge/libvdwxc-feedstockA conda-smithy repository for libvdwxc.
Shell BSD 3-Clause "New" or "Revised" License UpdatedJan 24, 2026 -
lammps Public
Forked from lammps/lammpsPublic development project of the LAMMPS MD software package
C++ GNU General Public License v2.0 UpdatedJan 11, 2026 -
gpaw-feedstock Public
Forked from conda-forge/gpaw-feedstockA conda-smithy repository for gpaw.
Shell BSD 3-Clause "New" or "Revised" License UpdatedDec 19, 2025 -
jonquil Public
Forked from toml-f/jonquilBringing TOML blooms to JSON land
Fortran Apache License 2.0 UpdatedDec 16, 2025 -
tblite Public
Forked from tblite/tbliteLight-weight tight-binding framework
Fortran GNU Lesser General Public License v3.0 UpdatedDec 16, 2025 -
tblite-feedstock Public
Forked from conda-forge/tblite-feedstockA conda-smithy repository for tblite.
Shell BSD 3-Clause "New" or "Revised" License UpdatedDec 15, 2025 -
toml-f Public
Forked from toml-f/toml-fTOML parser implementation for data serialization and deserialization in Fortran
Fortran Apache License 2.0 UpdatedDec 14, 2025 -
tblite-python-feedstock Public
Forked from conda-forge/tblite-python-feedstockA conda-smithy repository for tblite-python.
Shell BSD 3-Clause "New" or "Revised" License UpdatedDec 11, 2025 -
mctc-lib Public
Forked from grimme-lab/mctc-libModular computation tool chain library
Fortran Apache License 2.0 UpdatedNov 10, 2025 -
elpa-feedstock Public
Forked from conda-forge/elpa-feedstockA conda-smithy repository for elpa.
Shell BSD 3-Clause "New" or "Revised" License UpdatedOct 11, 2025 -
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…
Python Other UpdatedOct 7, 2025 -
scipy Public
Forked from scipy/scipySciPy library main repository
Python BSD 3-Clause "New" or "Revised" License UpdatedOct 1, 2025 -
xtb_docs Public
Forked from grimme-lab/xtb_docsPython Creative Commons Attribution Share Alike 4.0 International UpdatedJun 24, 2025 -
dfg Public
Forked from hoelzer/dfgA LaTeX template for a basic DFG (Deutsche Forschungsgemeinschaft, German Research Foundation) grant proposal.
TeX GNU General Public License v3.0 UpdatedJun 15, 2025 -
xtb Public
Forked from grimme-lab/xtbSemiempirical Extended Tight-Binding Program Package
Fortran GNU Lesser General Public License v3.0 UpdatedJun 11, 2025 -
pointgroup Public
Forked from abelcarreras/pointgroupPython library to determine the point group of molecular geometries
Python MIT License UpdatedJun 5, 2025 -
matscipy Public
Forked from libAtoms/matscipyMaterials science with Python at the atomic-scale
Python GNU Lesser General Public License v2.1 UpdatedMay 6, 2025 -
TensorPotential Public
Forked from ICAMS/TensorPotentialTensorFlow based interface for ML potentials development, fitting and evaluation
Python Other UpdatedApr 9, 2025 -
mstore Public
Forked from grimme-lab/mstoreMolecular structure store for testing
Fortran Apache License 2.0 UpdatedMar 17, 2025 -
matplotlib Public
Forked from matplotlib/matplotlibmatplotlib: plotting with Python
Python UpdatedMar 4, 2025 -
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despasito Public
Forked from Santiso-Group/despasitoDESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output
Python BSD 3-Clause "New" or "Revised" License UpdatedDec 8, 2024 -
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fox-feedstock Public
Forked from conda-forge/fox-feedstockA conda-smithy repository for fox.
Shell BSD 3-Clause "New" or "Revised" License UpdatedNov 6, 2024
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