Alternatives and similar repositories for n2v:

Users that are interested in n2v are comparing it to the libraries listed below

• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆19Updated last week
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated 2 weeks ago
• ifilot / pyqint
  Python package for evaluating integrals of Gaussian type orbitals in electronic structure calculations
  ☆27Updated last month
• qcserenity / serenity
  The release-only repository of the subsystem focused quantum chemistry code Serenity
  ☆32Updated 2 weeks ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆37Updated 2 weeks ago
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆18Updated 3 weeks ago
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆10Updated 3 years ago
• piecuch-group / cct3
  CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…
  ☆13Updated last year
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆15Updated last year
• sokolov-group / prism
  Python-based implementation of electronic structure theories for simulating spectroscopic properties
  ☆12Updated last week
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆14Updated last week
• ssnam92 / KSPies
  Kohn-Sham Python-based inversion Evaluation Software
  ☆11Updated 3 years ago
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆33Updated this week
• BoothGroup / dyson
  Dyson equation solvers for electron propagator methods
  ☆10Updated 2 months ago
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆20Updated last week
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated 3 weeks ago
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 5 years ago
• ZhaoYilin / moha
  MOHA: MOlecular HAmiltonian
  ☆15Updated last year
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆20Updated 8 months ago
• dftd3 / tad-dftd3
  PyTorch Autodiff DFT-D3 Implementation.
  ☆18Updated last week
• humeniuka / DFTBaby
  software package for tight-binding DFT calculations on ground and excited states of molecules
  ☆9Updated 5 years ago
• theochem / PyCI
  A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
  ☆18Updated this week
• optados-developers / optados
  Official Repository of the Optados code
  ☆21Updated 3 months ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated 2 years ago
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆44Updated 5 months ago
• nomad-coe / electronic-parsers
  ☆19Updated last week
• kgururangan / Quantum-Chemistry
  Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…
  ☆16Updated 3 years ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated 8 months ago