Alternatives and similar repositories for MIRP

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

• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated 4 months ago
• dftlibs / numgrid
  Numerical integration grid for molecules.
  ☆50Updated 8 months ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆33Updated 2 years ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆43Updated last week
• TREX-CoE / trexio
  TREX I/O library
  ☆51Updated this week
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆52Updated 2 months ago
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆16Updated last year
• psi4 / gau2grid
  Fast computation of a gaussian and its derivative on a grid.
  ☆30Updated last week
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆40Updated last month
• libmbd / libmbd
  Many-body dispersion library
  ☆55Updated 8 months ago
• jturney / ambit
  C++ library for the implementation of tensor product calculations through a clean, concise user interface.
  ☆23Updated last year
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆33Updated last month
• qcserenity / serenity
  The release-only repository of the subsystem focused quantum chemistry code Serenity
  ☆34Updated last month
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆49Updated 8 months ago
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆24Updated last year
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated last year
• wavefunction91 / GauXC
  GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …
  ☆35Updated last month
• ilyak / libefp
  Parallel implementation of the Effective Fragment Potential Method
  ☆24Updated 3 years ago
• MolSSI-MDI / MDI_Library
  A library that enables code interoperability via the MolSSI Driver Interface.
  ☆33Updated 4 months ago
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆25Updated this week
• susilehtola / erkale
  ERKALE -- HF/DFT from Hel
  ☆50Updated 2 weeks ago
• maxscheurer / cppe
  C++ and Python library for Polarizable Embedding
  ☆22Updated 10 months ago
• erikkjellgren / SlowQuant
  ☆44Updated 3 weeks ago
• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆33Updated 3 months ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆36Updated last week
• pyscf / mpi4pyscf
  MPI parallelization for PySCF
  ☆34Updated 7 months ago
• aoterodelaroza / postg
  Calculate the dispersion energy and related quantities in gas-phase systems using the exchange-hole dipole moment (XDM) model.
  ☆21Updated 3 weeks ago
• grimme-lab / dftd4
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction
  ☆20Updated last month