Alternatives and similar repositories for numgrid

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

• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆53Updated 3 months ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated last month
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆35Updated 2 years ago
• TREX-CoE / trexio
  TREX I/O library
  ☆61Updated 3 weeks ago
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated last year
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆25Updated 2 years ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆83Updated last year
• psi4 / gau2grid
  Fast computation of a gaussian and its derivative on a grid.
  ☆31Updated last week
• libmbd / libmbd
  Many-body dispersion library
  ☆56Updated last year
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆37Updated this week
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆54Updated last week
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆46Updated 2 months ago
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆99Updated 7 months ago
• erikkjellgren / SlowQuant
  ☆45Updated last week
• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆35Updated 2 months ago
• maxscheurer / cppe
  C++ and Python library for Polarizable Embedding
  ☆22Updated last month
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆71Updated last month
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆16Updated 3 weeks ago
• MolSSI / MIRP
  MolSSI Integral Reference Project
  ☆26Updated 4 years ago
• NASymmetry / MolSym
  I can't believe it's NonAbelian!
  ☆28Updated 2 months ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆28Updated last month
• evangelistalab / forte
  ☆59Updated 3 months ago
• CCQC / summer-program
  Repository for all summer program related programs
  ☆47Updated last month
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆40Updated last month
• lab-cosmo / librascal
  A scalable and versatile library to generate representations for atomic-scale learning
  ☆82Updated last year
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆30Updated last year
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆125Updated 2 years ago
• susilehtola / erkale
  ERKALE -- HF/DFT from Hel
  ☆51Updated 3 months ago
• JiashuLiang / GSCDB138
  Gold-Standard Chemical Database 138 (GSCDB138)
  ☆21Updated 2 weeks ago
• CrawfordGroup / lml
  Learning Machine Learning
  ☆14Updated 2 years ago