Alternatives and similar repositories for Tsinghua

Users that are interested in Tsinghua are comparing it to the libraries listed below

• syang-creater / extract-thirdorder-forceconstant

  View on GitHub
  extract third order force constants from TDEP output
  ☆10Jun 22, 2020Updated 5 years ago
• SSlakeLabTiangong / 2020_webinar

  View on GitHub
  ☆12Feb 28, 2020Updated 5 years ago
• mohammadnakhaee / tbstudio

  View on GitHub
  Technical software application for creating tight-binding Hamiltonian from DFT results
  ☆21Aug 5, 2023Updated 2 years ago
• B-C-WANG / soapml

  View on GitHub
  机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode
  ☆17Dec 27, 2018Updated 7 years ago
• WeibinChu / Hefei-NAMD-DEV

  View on GitHub
  Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program based on time-dependent density-functional theory and surface hopping…
  ☆27Mar 29, 2023Updated 2 years ago
• utf / bapt

  View on GitHub
  Band alignment plotting tool
  ☆26Mar 28, 2025Updated 10 months ago
• nmardirossian / PySCF_Tutorial

  View on GitHub
  ☆31Apr 16, 2018Updated 7 years ago
• plrodolfo / FluidFreeEnergyforLAMMPS

  View on GitHub
  Fluid-phase Free-energy Calculation package for LAMMPS
  ☆29Feb 3, 2022Updated 4 years ago
• ponychen123 / Vasptools

  View on GitHub
  some toolkits for VASP
  ☆34Apr 30, 2021Updated 4 years ago
• tomkeus / vasp_unfold

  View on GitHub
  ☆29Jun 30, 2024Updated last year
• munrojm / DiSPy

  View on GitHub
  Utility for applying the distortion symmetry method.
  ☆28Feb 21, 2024Updated last year
• rubel75 / fold2Bloch-VASP

  View on GitHub
  Unfolding the band structure of a supercell obtained with VASP
  ☆25Dec 28, 2022Updated 3 years ago
• adguerra / LAMMPSStructures

  View on GitHub
  Creating elastic structures using LAMMPS
  ☆12Jan 30, 2023Updated 3 years ago
• tkotani / ecalj

  View on GitHub
  The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).
  ☆35Jan 24, 2026Updated 3 weeks ago
• DCM-UPB / SFG-spectra-tool

  View on GitHub
  This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…
  ☆12Jul 24, 2023Updated 2 years ago
• GitGreg228 / a2f

  View on GitHub
  ☆15Jun 13, 2023Updated 2 years ago
• eimrek / tb-mean-field-hubbard

  View on GitHub
  Python code for solving the tight-binding mean field Hubbard hamiltonian
  ☆13Jun 4, 2023Updated 2 years ago
• lyg-ucl / VASP_MD_XDAT

  View on GitHub
  This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…
  ☆11Oct 11, 2021Updated 4 years ago
• HansHsuTW / WCalPackage

  View on GitHub
  This package contains a few programs to study band topology based on the Wannier tight-binding model.
  ☆11May 30, 2021Updated 4 years ago
• ifilot / edp

  View on GitHub
  Electron Density Plotter
  ☆40Feb 6, 2025Updated last year
• jamesmcm / Doping-Effects-in-Graphene

  View on GitHub
  Theoretical modelling of doping effects and magnetic field effects on the quantum transport in Graphene.
  ☆14Mar 29, 2013Updated 12 years ago
• aiidateam / qe-tools

  View on GitHub
  Python tools for Quantum ESPRESSO
  ☆37Oct 12, 2025Updated 4 months ago
• maierta / MRPAPP

  View on GitHub
  The MRPA++ computer code simulates neutron scattering and superconductivity in correlated electron systems. It uses a random-phase approx…
  ☆13Dec 12, 2025Updated 2 months ago
• henryorton / paramagpy

  View on GitHub
  Calculating paramagnetic NMR effects in proteins
  ☆10May 20, 2022Updated 3 years ago
• tanner-trickle / EXCEED-DM

  View on GitHub
  EXCEED-DM: EXtended Calculation of Electronic Excitations for Direct detection of Dark Matter
  ☆12Jan 20, 2026Updated 3 weeks ago
• arpank-2380 / PyEPFD

  View on GitHub
  Python library for computing electron-phonon renormalizations from finite displacements
  ☆11Jan 6, 2025Updated last year
• EACcodes / VASPEmbedding

  View on GitHub
  Embedding module for VASP and tools for its use.
  ☆10Feb 20, 2025Updated 11 months ago
• aromanro / TightBinding

  View on GitHub
  Semi-empirical tight-binding computation of the electronic structure of semiconductors
  ☆13Dec 31, 2025Updated last month
• bblonder / thermal_analysis

  View on GitHub
  Code to analyze infrared and visible images
  ☆10Jul 19, 2020Updated 5 years ago
• MagneticEarth / IAGA_SummerSchool2019

  View on GitHub
  Materials for the workshop on magnetic observatories and modelling - being replaced by https://github.com/MagneticEarth/book.magneticeart…
  ☆10Aug 30, 2019Updated 6 years ago
• HybriD3-database / MatD3

  View on GitHub
  Curatable database for experimental and theoretical data on solid materials.
  ☆13Sep 21, 2025Updated 4 months ago
• tansongchen / pkupcl

  View on GitHub
  北京大学物理化学实验报告写作的参考模板。
  ☆10Jan 10, 2021Updated 5 years ago
• adam-kerrigan / pybader

  View on GitHub
  Threaded implementation of grid-based Bader charge analysis.
  ☆17Oct 19, 2023Updated 2 years ago
• ElenaKusevska / Molecular_symmetry

  View on GitHub
  Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).
  ☆14May 18, 2018Updated 7 years ago
• prashungorai / combined-gnn

  View on GitHub
  Graph neural network for predicting energy of known and hypothetical crystal structures
  ☆10Jan 26, 2022Updated 4 years ago
• tflovorn / scsbz

  View on GitHub
  Mean-field self-consistent equations for slave-boson superconductivity.
  ☆12Jan 30, 2012Updated 14 years ago
• jxzhangcc / PIO

  View on GitHub
  Principal Interacting Orbital
  ☆16Jul 19, 2022Updated 3 years ago
• VlachosGroup / pMuTT

  View on GitHub
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆47Jul 13, 2025Updated 7 months ago
• quantum-tinkerer / qsymm

  View on GitHub
  A mirror of https://gitlab.kwant-project.org/qt/qsymm
  ☆40Oct 6, 2025Updated 4 months ago