pypi.org "tight-binding" keyword
tbee 0.1
TBEE is a package providing a Python implementation, with heavy use of numpy vectorization, of Ti...1 version - Latest release: over 10 years ago - 2 dependent repositories - 10 downloads last month - 6 stars on GitHub - 1 maintainer
tightbinder 0.2.2
Slater-Koster tight-binding library for crystalline and disordered solids6 versions - Latest release: about 1 year ago - 28 downloads last month - 22 stars on GitHub - 1 maintainer
pyqula 0.0.96
Python library to compute quantum tight-binding models on lattices94 versions - Latest release: about 1 month ago - 1 dependent repositories - 785 downloads last month - 145 stars on GitHub - 1 maintainer
Top 7.0% on pypi.org
16 versions - Latest release: over 5 years ago - 5 dependent packages - 2 dependent repositories - 9.93 thousand downloads last month - 37 stars on GitHub - 1 maintainer
tbmodels 1.4.3
A tool for reading, creating and modifying tight-binding models.16 versions - Latest release: over 5 years ago - 5 dependent packages - 2 dependent repositories - 9.93 thousand downloads last month - 37 stars on GitHub - 1 maintainer
tad-libcint 0.4.0
"Torch Autodiff Libcint Interface"8 versions - Latest release: 17 days ago - 1.46 thousand downloads last month - 6 stars on GitHub - 1 maintainer
Top 10.0% on pypi.org
1 version - Latest release: almost 4 years ago - 1 dependent repositories - 20.8 thousand downloads last month - 130 stars on GitHub - 2 maintainers
xtb 22.1
Python API for the extended tight-binding program1 version - Latest release: almost 4 years ago - 1 dependent repositories - 20.8 thousand downloads last month - 130 stars on GitHub - 2 maintainers
scine-xtb-wrapper 3.0.2
A wrapper for xtb7 versions - Latest release: about 1 year ago - 1 dependent repositories - 214 downloads last month - 564 stars on GitHub - 1 maintainer
dxtb 0.4.0
Fully Differentiable Approach to Extended Tight Binding7 versions - Latest release: 8 months ago - 636 downloads last month - 148 stars on GitHub - 1 maintainer
Top 5.5% on pypi.org
54 versions - Latest release: 19 days ago - 4 dependent packages - 6 dependent repositories - 4.85 thousand downloads last month - 229 stars on GitHub - 1 maintainer
sisl 0.20.0 💰
Manipulation and post-processing of DFT output and creating tight-binding models for NEGF transport54 versions - Latest release: 19 days ago - 4 dependent packages - 6 dependent repositories - 4.85 thousand downloads last month - 229 stars on GitHub - 1 maintainer
pybott 2024.11.19
This package computes the Bott index, a real space, disorder resistant, topological index.12 versions - Latest release: almost 2 years ago - 66 downloads last month - 0 stars on gitlab.com - 1 maintainer
dftbplus-step 2026.10.24
A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code.46 versions - Latest release: 13 days ago - 1 dependent repositories - 229 downloads last month - 2 stars on GitHub - 1 maintainer
aiida-tbextraction 0.2.0b1
AiiDA Plugin for extracting tight-binding models2 versions - Latest release: over 6 years ago - 62 downloads last month - 1 maintainer
gfn1-rs-python 0.7.2
Python and ASE interface for the native Rust GFN1-xTB implementation5 versions - Latest release: 4 days ago - 24 downloads last month - 1 stars on GitHub - 1 maintainer
guan 0.2.0
An open source python package397 versions - Latest release: 5 days ago - 1 dependent repositories - 771 downloads last month - 18 stars on GitHub - 1 maintainer
tblite 0.8.0
Light-weight tight-binding framework7 versions - Latest release: 8 days ago - 1 dependent package - 1 dependent repositories - 32 thousand downloads last month - 226 stars on GitHub - 2 maintainers
dptb 2.2.1
A unified deep learning package for electronic structure models including tight-binding, KS Hamil...9 versions - Latest release: 5 months ago - 223 downloads last month - 125 stars on GitHub - 1 maintainer
Top 5.9% on pypi.org
12 versions - Latest release: about 6 years ago - 3 dependent packages - 3 dependent repositories - 251 downloads last month - 211 stars on GitHub - 1 maintainer
pybinding 0.9.5
Package for tight-binding calculations12 versions - Latest release: about 6 years ago - 3 dependent packages - 3 dependent repositories - 251 downloads last month - 211 stars on GitHub - 1 maintainer
tbkit 0.7.0
A Python package to build and solve Tight-Binding models.11 versions - Latest release: 8 days ago - 748 downloads last month - 2 stars on GitHub - 1 maintainer
kpm-tools 0.1.0
KPM Tools10 versions - Latest release: 3 months ago - 36 downloads last month - 3 stars on GitHub - 1 maintainer
dftb-rs-python 0.1.1
Pure-Rust density functional tight binding (DFTB1/2/3, LC-DFTB, TD-DFTB, spin, +U, dispersion) wi...2 versions - Latest release: 3 months ago - 0 stars on GitHub - 1 maintainer
gfn0-rs-python 0.4.1
Unofficial GFN0-xTB in Rust with Python/ASE bindings: analytic derivatives through sixth order, p...2 versions - Latest release: about 2 months ago - 90 downloads last month - 0 stars on GitHub - 1 maintainer
flqtb 0.1.0
Floquet engineering for tight-binding models on top of pythtb 2.0+1 version - Latest release: 4 months ago - 1 maintainer
tailwater 0.12.0
Client + post-processing toolkit for the Tailwater Wannier-Hamiltonian inference API44 versions - Latest release: about 1 month ago - 562 downloads last month - 3 stars on GitHub - 1 maintainer
ssg4wann 1.0.2
A parallel (MPI-enabled) tool for symmetrizing Wannier tight-binding Hamiltonians (`_hr.dat`) gen...16 versions - Latest release: 3 months ago - 50 downloads last month - 3 stars on GitHub - 1 maintainer
pygfn0-torch 0.1.2
Unofficial differentiable LibTorch implementation of a GFN0-xTB-like Hamiltonian as a parameter l...3 versions - Latest release: 6 months ago - 209 downloads last month - 1 maintainer
grapheine 0.14.2
Graph-theoretic CLI for any folder of [[wikilinked]] markdown — sublattices, Dirac points, Fiedle...3 versions - Latest release: 6 months ago - 85 downloads last month - 5 stars on GitHub - 1 maintainer
difftb 2025.12.16
Differentiable Density Functional Tight Binding in JAX1 version - Latest release: 8 months ago - 13 downloads last month - 0 stars on GitHub - 1 maintainer
Top 7.3% on pypi.org
6 versions - Latest release: 5 months ago - 2 dependent packages - 3 dependent repositories - 2.73 thousand downloads last month - 28 stars on GitHub - 3 maintainers
pythtb 2.0.2
Python library for constructing and analyzing tight-binding models.6 versions - Latest release: 5 months ago - 2 dependent packages - 3 dependent repositories - 2.73 thousand downloads last month - 28 stars on GitHub - 3 maintainers
quantumflow-sdk 0.4.0
Quantum-optimized AI agent workflow platform with 53% token compression, Gray-code measurement, a...5 versions - Latest release: 9 months ago - 1 maintainer
tb2j 0.9.22
TB2J: First principle to Heisenberg exchange J using tight-binding Green function method141 versions - Latest release: about 1 month ago - 1 dependent repositories - 3.85 thousand downloads last month - 102 stars on GitHub - 1 maintainer
nano-net 1.3.12
Python framework for tight-binding computations15 versions - Latest release: about 3 years ago - 1 dependent repositories - 61 downloads last month - 36 stars on GitHub - 1 maintainer
pybinding-hj 0.10.1
Modernized fork of pybinding - numerical tight-binding calculations with Python 3.14 and NumPy 2....2 versions - Latest release: 10 months ago - 47 downloads last month - 0 stars on GitHub - 1 maintainer
floquettb 0.1.0
A Python package for Floquet engineering of tight-binding models1 version - Latest release: 11 months ago - 16 downloads last month - 1 maintainer
pypostb 0.3.0
A Python package for tight-binding model calculations from POSCAR files1 version - Latest release: 11 months ago - 34 downloads last month - 1 maintainer
tbdmm 0.1.0
Compute tight-binding Hamiltonian matrix and d-band moment from a structure1 version - Latest release: almost 2 years ago - 15 downloads last month - 1 stars on GitHub - 1 maintainer
bodge 1.3.0
Bodge: Python package for efficient tight-binding modeling of superconductors.11 versions - Latest release: about 1 year ago - 69 downloads last month - 14 stars on GitHub - 1 maintainer
pybinding-dev 1.0.6
Package for tight-binding calculations, Documentation: http://pybinding.site/ (c) 2015-20255 versions - Latest release: over 1 year ago - 1.01 thousand downloads last month - 2 stars on GitHub - 1 maintainer
ltb-symm 1.0.0
Large Scale Tight Binding + Symmetries1 version - Latest release: over 3 years ago - 4 downloads last month - 3 stars on GitHub - 1 maintainer
quantum-kite 0.0.4
KITE: Real-space quantum transport simulator. (c) 2018-2023, Quantum-Kite team5 versions - Latest release: over 2 years ago - 129 downloads last month - 37 stars on GitHub - 1 maintainer
pyw90 1.0.7
A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy windo...8 versions - Latest release: over 3 years ago - 32 downloads last month - 48 stars on GitHub - 1 maintainer
tmdybinding 0.1.2
Tight-binding lattices for TMDs for the Pybinding-package, Documentation: https://bertjorissen.gi...5 versions - Latest release: over 2 years ago - 35 downloads last month - 1 stars on GitHub - 1 maintainer
pysktb 0.5.6
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian8 versions - Latest release: almost 4 years ago - 43 downloads last month - 59 stars on GitHub - 1 maintainer
tbsoc 3.1.1
A computational method to estimate spin-orbital interaction strength in solid state systems4 versions - Latest release: 10 months ago - 21 downloads last month - 26 stars on GitHub - 1 maintainer
mol-kit 0.0.4
This is a molecule structure file conversion library4 versions - Latest release: almost 4 years ago - 54 downloads last month - 564 stars on GitHub - 1 maintainer
wanpy 0.16.2
A Wannier Tight-Binding Model Based Numerical Package4 versions - Latest release: over 1 year ago - 16 downloads last month - 5 stars on GitHub - 1 maintainer
z2pack 2.2.1
Automating the computation of topological numbers of band-structures.20 versions - Latest release: over 1 year ago - 1 dependent package - 2 dependent repositories - 7.15 thousand downloads last month - 1 maintainer
Related Keywords
physics
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quantum-chemistry
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computational-chemistry
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python
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quantum
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cmt
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solid-state
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graphene
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pybinding
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electronic-structure
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topology
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hamiltonian
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ase
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DFT
4
xtb
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KPM
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wannier
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dft
4
vasp
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magnetism
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slater-koster
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floquet
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solid-state physics
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quantum-transport
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TMD
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chemistry
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density-of-states
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topological
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electronic structure
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tbtrans
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