Alternatives and similar repositories for libra-code

Users that are interested in libra-code are comparing it to the libraries listed below

• compchem-cybertraining / Tutorials_Libra
  Tutorials showcasing various capabilities of Libra
  ☆24Updated this week
• gaox-qd / pysoc
  PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+
  ☆47Updated last year
• zglan / JADE-NAMD
  JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation
  ☆19Updated 4 years ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆41Updated 2 months ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆32Updated 3 years ago
• WMD-group / CarrierCapture.jl
  Julia package to compute trap-assisted electron and hole capture in semiconductors
  ☆57Updated 5 months ago
• dftbplus / skprogs
  Basic programs for generating Slater-Koster files for the DFTB-method
  ☆27Updated 11 months ago
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆43Updated last month
• aoterodelaroza / critic2
  Analysis of quantum chemical interactions in molecules and solids.
  ☆113Updated this week
• humeniuka / DFTBaby
  software package for tight-binding DFT calculations on ground and excited states of molecules
  ☆12Updated 5 years ago
• sunqm / py-qc-book
  ☆44Updated last year
• blevine37 / pySpawn17
  A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations
  ☆24Updated last week
• CCQC / summer-program
  Repository for all summer program related programs
  ☆47Updated 5 months ago
• lanl / NEXMD
  ☆33Updated last year
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆35Updated 2 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• ifilot / pyqint
  An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…
  ☆57Updated last week
• skmin-lab / unixmd
  ☆23Updated 3 weeks ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 7 months ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆58Updated last month
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆33Updated 4 years ago
• sharc-md / sharc
  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…
  ☆76Updated 7 months ago
• BerkeleyGW / BGWpy
  BerkeleyGW python
  ☆32Updated 4 years ago
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆51Updated 2 years ago
• marcobn / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)
  ☆47Updated last month
• stochasticGW / stochasticGW
  Open-source stochastic GW software
  ☆13Updated 8 months ago
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated 2 years ago
• zerothi / ts-tbt-sisl-tutorial
  Tutorials for the sisl-TBtrans-TranSiesta suite
  ☆44Updated last month
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆46Updated last month
• DMFTwDFT-project / DMFTwDFT
  DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
  ☆61Updated 3 years ago