NASymmetry / MolSym

Related projects ⓘ

Alternatives and complementary repositories for MolSym

• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆27Updated last week
• sokolov-group / prism
  Python-based implementation of electronic structure theories for simulating spectroscopic properties
  ☆12Updated this week
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆9Updated 2 years ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆26Updated last year
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆32Updated this week
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆9Updated last week
• MatthewRHermes / mrh
  MRH's research code
  ☆19Updated this week
• TREX-CoE / trexio
  TREX I/O library
  ☆48Updated this week
• Masterluke87 / psixas
  A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)
  ☆11Updated 6 months ago
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆21Updated last month
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆33Updated 3 weeks ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆22Updated 6 months ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆43Updated 5 months ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆17Updated last year
• sunqm / pbchf
  An example to implement PBC SCF
  ☆12Updated 6 years ago
• hgaburton / libgnme
  A C++ library for evaluating non-orthogonal matrix elements in electronic structure
  ☆24Updated 11 months ago
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 5 years ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆15Updated 4 months ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated this week
• edeprince3 / hilbert
  ☆13Updated 3 months ago
• BoothGroup / dyson
  Dyson equation solvers for electron propagator methods
  ☆10Updated 2 weeks ago
• sanshar / StackBlock
  ☆11Updated 3 years ago
• TREX-CoE / trexio_tools
  Set of tools for trexio files
  ☆19Updated last week
• rquintero-88 / eomccgen
  Automatic equation of motion coupled cluster generator
  ☆15Updated last year
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆12Updated last week
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆12Updated this week
• sanshar / Dice
  ☆44Updated 2 months ago
• edeprince3 / v2rdm_casscf
  A variational 2-RDM-driven CASSCF plugin to Psi4
  ☆10Updated 3 years ago