Alternatives and similar repositories for bagel

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

• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆83Updated last year
• TREX-CoE / trexio
  TREX I/O library
  ☆61Updated 3 weeks ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆45Updated 2 months ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆35Updated 2 years ago
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆99Updated 7 months ago
• mcodev31 / libmsym
  molecular point group symmetry lib
  ☆88Updated last year
• SebWouters / CheMPS2
  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
  ☆71Updated 2 months ago
• erikkjellgren / SlowQuant
  ☆47Updated last week
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆37Updated last week
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆55Updated this week
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆46Updated 2 months ago
• libmbd / libmbd
  Many-body dispersion library
  ☆56Updated last year
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆53Updated 3 months ago
• evangelistalab / forte
  ☆59Updated 3 months ago
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆76Updated last week
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated this week
• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆35Updated 2 months ago
• susilehtola / erkale
  ERKALE -- HF/DFT from Hel
  ☆51Updated 3 months ago
• maxscheurer / cppe
  C++ and Python library for Polarizable Embedding
  ☆22Updated last month
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• CCQC / summer-program
  Repository for all summer program related programs
  ☆47Updated last month
• sanshar / Dice
  ☆58Updated 3 months ago
• blevine37 / pySpawn17
  A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations
  ☆23Updated 8 months ago
• EACcodes / PROFESS
  PRinceton Orbital-Free Electronic Structure Software
  ☆30Updated 5 years ago
• NASymmetry / MolSym
  I can't believe it's NonAbelian!
  ☆28Updated 2 months ago
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆16Updated 3 weeks ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆71Updated last month
• sunqm / py-qc-book
  ☆35Updated last year
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆31Updated 2 years ago
• sharc-md / sharc
  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…
  ☆73Updated 4 months ago