Alternatives and similar repositories for PyNOF:

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

• ZhaoYilin / moha
  MOHA: MOlecular HAmiltonian
  ☆15Updated last year
• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 2 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
• jeanwsr / pyNOF
  Natural-orbital Functional based on PySCF
  ☆10Updated 8 months ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆16Updated 8 months ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated 10 months ago
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆11Updated 3 years ago
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆17Updated last week
• theochem / PyCI
  A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
  ☆19Updated 3 weeks ago
• BoothGroup / dyson
  Dyson equation solvers for electron propagator methods
  ☆10Updated 2 weeks ago
• geem-lab / orcinus
  🧰 A simple yet precise graphical user interface for making inputs for the ORCA quantum chemistry package
  ☆8Updated 3 years ago
• grimme-lab / gcp
  Geometrical Counter-Poise Correction
  ☆11Updated 5 months ago
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 5 years ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆23Updated 2 years ago
• openrsp / openrsp
  OpenRSP: open-ended response theory.
  ☆16Updated 4 years ago
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆19Updated this week
• fevangelista / CHEM532-ElectronicStructure-Notes
  Notes on Electronic Structure Theory (CHEM532)
  ☆25Updated 2 months ago
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆20Updated 2 months ago
• jeanwsr / pyAutoMR
  Automatic MR based on PySCF
  ☆13Updated this week
• romankempt / aimstools
  Personal collection of scripts to handle FHI-aims calculations.
  ☆11Updated 11 months ago
• eljost / sympleints
  Molecular integrals over Gaussian basis functions using sympy.
  ☆14Updated 7 months ago
• pernalk / GAMMCOR
  gammcor code
  ☆10Updated 2 months ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated 2 years ago
• lcmd-epfl / Q-stack
  Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)
  ☆18Updated this week
• SinaMostafanejad / OpenRDM
  An open-source library for reduced-density matrix-based analysis and computation
  ☆20Updated 2 years ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆16Updated 3 weeks ago
• eriksen-lab / decodense
  decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations
  ☆10Updated 5 months ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated this week
• xubwa / socutils
  ☆11Updated last month
• edeprince3 / v2rdm_casscf
  A variational 2-RDM-driven CASSCF plugin to Psi4
  ☆10Updated 4 years ago