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dmol-book Public
Forked from whitead/dmol-bookDeep learning for molecules and materials book
Jupyter Notebook Other UpdatedDec 8, 2025 -
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QuantumEspressoAnalysis.jl Public
Some functions to analyze Quantum ESPRESSO calculations
Julia MIT License UpdatedNov 24, 2025 -
CubeFiles.jl Public
AtomsBase compatible interface to work with Gaussian cube files
Julia MIT License UpdatedNov 24, 2025 -
GroupCodes Public
Forked from aitgcodes/GroupCodesA collection of codes developed and regularly used in AITG
Python GNU General Public License v3.0 UpdatedOct 12, 2025 -
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liorsinai.github.io Public
Forked from LiorSinai/liorsinai.github.ioMy personal website
JavaScript MIT License UpdatedApr 20, 2025 -
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CondaPkg.jl Public
Forked from JuliaPy/CondaPkg.jlAdd Conda dependencies to your Julia project
Julia MIT License UpdatedApr 6, 2025 -
ASEAtoms.jl Public
Wrapper around ASE Atoms object following the AtomsBase interface
Julia MIT License UpdatedJan 28, 2025 -
ase Public
Mirror of gitlab.com/rashidrafeek/ase which is a fork of gitlab.com/ase/ase
Python Other UpdatedJan 18, 2025 -
AtomsIO.jl-1 Public
Forked from mfherbst/AtomsIO.jlStandard input/output package for AtomsBase-compatible structures
Julia MIT License UpdatedJan 15, 2025 -
DeepMD.jl Public
Helper package to work with deepmd-kit in julia
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Wannier.jl Public
Forked from qiaojunfeng/Wannier.jlA playground for Wannier functions
Julia Other UpdatedNov 15, 2024 -
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chemstarx Public
Forked from aitgcodes/chemstarxScript and files for the computational chemistry hands-on session in ChemStarX
Shell GNU General Public License v3.0 UpdatedJul 10, 2024 -
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tdep Public
Forked from tdep-developers/tdepThe Temperature Dependent Effective Potentials (TDEP) code
Fortran MIT License UpdatedJun 17, 2024 -
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dpdata Public
Forked from deepmodeling/dpdataManipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
Python GNU Lesser General Public License v3.0 UpdatedNov 30, 2023 -
CrystalNets.jl Public
Forked from coudertlab/CrystalNets.jlA julia package for the manipulation of crystal net representations and topology
Julia MIT License UpdatedNov 21, 2023 -
InteratomicPotentials.jl Public
Forked from cesmix-mit/InteratomicPotentials.jlContains methods and types for a variety interatomic potentials.
Julia MIT License UpdatedOct 17, 2023 -
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litesoph-wiki Public
Forked from aitgcodes/litesoph-wikiLITESOPH documentation
Python UpdatedJul 19, 2023 -
are-the-americans-awake Public
Forked from spcbfr/are-the-americans-awakeTypeScript UpdatedJul 10, 2023 -
bib-journal-abbreviation Public
Forked from jxhe/bib-journal-abbreviationThis is a lightweight python script to abbreviate the journal names in your latex bib file.
Python UpdatedJun 20, 2023 -
Pluto.jl Public
Forked from fonsp/Pluto.jl🎈 Simple reactive notebooks for Julia
Julia MIT License UpdatedJan 30, 2023 -
CSV.jl Public
Forked from JuliaData/CSV.jlUtility library for working with CSV and other delimited files in the Julia programming language
Julia Other UpdatedJan 28, 2023 -
AtomsParsers.jl Public
Parsers for various molecular or crystal structure formats
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c2x Public
Unofficial mirror of https://www.c2x.org.uk
C GNU General Public License v3.0 UpdatedJan 6, 2023
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