Alternatives and similar repositories for pycc:

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

• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆38Updated 3 weeks ago
• evangelistalab / forte
  ☆57Updated last week
• TREX-CoE / trexio
  TREX I/O library
  ☆50Updated 3 months ago
• erikkjellgren / SlowQuant
  ☆43Updated last week
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆35Updated this week
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆82Updated 10 months ago
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated 10 months ago
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆47Updated 6 months ago
• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆30Updated last month
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated 2 months ago
• NASymmetry / MolSym
  I can't believe it's NonAbelian!
  ☆16Updated last month
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆16Updated last year
• sanshar / Dice
  ☆48Updated 2 months ago
• MatthewRHermes / mrh
  MRH's research code
  ☆23Updated this week
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆24Updated last year
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆42Updated 3 weeks ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆22Updated last week
• edeprince3 / pdaggerq
  ☆50Updated last week
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 6 years ago
• libmbd / libmbd
  Many-body dispersion library
  ☆54Updated 6 months ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated 2 weeks ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• blevine37 / pySpawn17
  A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations
  ☆23Updated 2 months ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated last month
• SebWouters / CheMPS2
  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
  ☆70Updated 3 years ago
• pyflosic / pyflosic
  Python-based Fermi-Löwdin orbital self-interaction-correction
  ☆23Updated 2 years ago
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆35Updated 3 weeks ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆28Updated last year
• CCQC / summer-program
  Repository for all summer program related programs
  ☆45Updated last year
• CrawfordGroup / lml
  Learning Machine Learning
  ☆15Updated last year