Alternatives and similar repositories for GSCDB

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

• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆55Updated 3 weeks ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆38Updated 3 weeks ago
• theochem / PyCI
  A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
  ☆22Updated 3 weeks ago
• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆35Updated 3 months ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆83Updated last year
• fevangelista / CHEM532-ElectronicStructure-Notes
  Notes on Electronic Structure Theory (CHEM532)
  ☆25Updated 8 months ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆23Updated 3 years ago
• iDEA-org / iDEA
  interacting Dynamic Electrons Approach
  ☆28Updated 4 months ago
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆41Updated last week
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆32Updated 3 years ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆53Updated 3 months ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆12Updated 8 months ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆35Updated 3 weeks ago
• libmbd / libmbd
  Many-body dispersion library
  ☆56Updated last year
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆25Updated 2 months ago
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 7 years ago
• EACcodes / PROFESS
  PRinceton Orbital-Free Electronic Structure Software
  ☆30Updated 5 years ago
• sunqm / py-qc-book
  ☆36Updated last year
• pwborthwick / harpy
  Hartree-Fock Python
  ☆19Updated 2 years ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆46Updated last week
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆34Updated 2 weeks ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆32Updated 2 years ago
• qcserenity / serenity
  The release-only repository of the subsystem focused quantum chemistry code Serenity
  ☆41Updated 5 months ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆28Updated 2 months ago
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆21Updated this week
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated last year
• NASymmetry / MolSym
  I can't believe it's NonAbelian!
  ☆28Updated 3 months ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆18Updated this week
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated last year