Alternatives and similar repositories for exachem

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

• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆26Updated 5 months ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆36Updated 2 years ago
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆25Updated 2 years ago
• wavefunction91 / GauXC
  GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …
  ☆46Updated last week
• JiashuLiang / GSCDB
  Gold-Standard Chemical Database 138 (GSCDB138)
  ☆31Updated last month
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆29Updated 2 years ago
• psi4 / gau2grid
  Fast computation of a gaussian and its derivative on a grid.
  ☆31Updated 4 months ago
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated last year
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆80Updated 2 weeks ago
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆40Updated last week
• libmbd / libmbd
  Many-body dispersion library
  ☆59Updated 3 months ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆57Updated last month
• ebylaska / PWDFT
  Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
  ☆14Updated this week
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 6 years ago
• fevangelista / CHEM532-ElectronicStructure-Notes
  Notes on Electronic Structure Theory (CHEM532)
  ☆25Updated 11 months ago
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆19Updated this week
• pyscf / mpi4pyscf
  MPI parallelization for PySCF
  ☆34Updated last year
• pwborthwick / harpy
  Hartree-Fock Python
  ☆20Updated 3 years ago
• qcserenity / serenity
  The release-only repository of the subsystem focused quantum chemistry code Serenity
  ☆45Updated 9 months ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆85Updated last year
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆55Updated this week
• maxscheurer / cppe
  C++ and Python library for Polarizable Embedding
  ☆22Updated last month
• grimme-lab / gcp
  Geometrical Counter-Poise Correction
  ☆13Updated last year
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆17Updated last year
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆33Updated 6 months ago
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆43Updated 2 weeks ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆24Updated 3 years ago
• RMeli / Hartree-Fock
  Solution of Hartree-Fock equations within Pople's STO-3G basis set
  ☆40Updated 6 years ago
• CrawfordGroup / lml
  Learning Machine Learning
  ☆14Updated 2 years ago
• EACcodes / PROFESS
  PRinceton Orbital-Free Electronic Structure Software
  ☆29Updated 5 years ago