Alternatives and similar repositories for graci:

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

• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆30Updated last week
• gaox-qd / pysoc
  PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+
  ☆41Updated 9 months ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆34Updated this week
• blevine37 / pySpawn17
  A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations
  ☆23Updated last month
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated last month
• MatthewRHermes / mrh
  MRH's research code
  ☆22Updated this week
• dftbplus / skprogs
  Basic programs for generating Slater-Koster files for the DFTB-method
  ☆25Updated last month
• CCQC / summer-program
  Repository for all summer program related programs
  ☆44Updated last year
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆38Updated last month
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆22Updated 8 years ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆46Updated 9 months ago
• stochasticGW / stochasticGW
  Open-source stochastic GW software
  ☆13Updated last year
• sunqm / pbchf
  An example to implement PBC SCF
  ☆13Updated 6 years ago
• erikkjellgren / SlowQuant
  ☆43Updated this week
• zglan / JADE-NAMD
  JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation
  ☆18Updated 3 years ago
• sokolov-group / prism
  Python-based implementation of electronic structure theories for simulating spectroscopic properties
  ☆12Updated this week
• Quantum-Dynamics-Hub / libra-code
  ☆51Updated this week
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated 9 months ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆20Updated 2 years ago
• humeniuka / DFTBaby
  software package for tight-binding DFT calculations on ground and excited states of molecules
  ☆9Updated 5 years ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆34Updated this week
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 5 years ago
• JoshuaSBrown / QC_Tools
  This small repository provides functionality for calculating the charge transfer integrals between two molecules.
  ☆31Updated last year
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆33Updated last week
• libmbd / libmbd
  Many-body dispersion library
  ☆54Updated 5 months ago
• rk-lindsey / chimes_calculator
  Tools to interface ChIMES with various external codes.
  ☆22Updated 7 months ago
• SCM-NV / qmflows
  This library tackles the construction and efficient execution of computational chemistry workflows
  ☆47Updated last year
• grimme-lab / std2
  std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DF…
  ☆38Updated last month
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆22Updated 2 years ago