Alternatives and similar repositories for qcl

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

• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆36Updated 2 years ago
• ebylaska / PWDFT
  Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
  ☆14Updated 2 weeks ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆25Updated 3 months ago
• libmbd / libmbd
  Many-body dispersion library
  ☆56Updated last month
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆44Updated last week
• loriab / qcdb
  Databases and Interoperability in Quantum Chemistry
  ☆13Updated 7 years ago
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆29Updated 2 years ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆17Updated last year
• filippolipparini / ddPCM
  A fast domain decomposition based implementation of the COSMO solvation model
  ☆15Updated 5 years ago
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 6 years ago
• dylan-jayatilaka / tonto
  for Quantum Crystallography
  ☆26Updated last month
• ExaChem / exachem
  Open Source Exascale Quantum Chemistry Software
  ☆28Updated last month
• molsturm / molsturm
  A modular electronic structure theory code
  ☆21Updated 7 years ago
• aoterodelaroza / refdata
  Benchmark data for density-functional theory method development.
  ☆17Updated last week
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆21Updated last month
• MolSSI / MIRP
  MolSSI Integral Reference Project
  ☆26Updated 4 years ago
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆37Updated last week
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated last year
• grimme-lab / gcp
  Geometrical Counter-Poise Correction
  ☆13Updated last year
• ilyak / libefp
  Parallel implementation of the Effective Fragment Potential Method
  ☆26Updated 2 months ago
• jeanwsr / pyAutoMR
  Automatic MR based on PySCF
  ☆16Updated last month
• edeprince3 / v2rdm_casscf
  A variational 2-RDM-driven CASSCF plugin to Psi4
  ☆11Updated 4 years ago
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆25Updated 2 years ago
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆33Updated 4 months ago
• qcserenity / serenity
  The release-only repository of the subsystem focused quantum chemistry code Serenity
  ☆44Updated 7 months ago
• f-fathurrahman / ffr-PWDFT
  A poor man's density functional theory program
  ☆14Updated last week
• qsimulate-open / bagel
  Brilliantly Advanced General Electronic-structure Library
  ☆117Updated 8 months ago
• Masterluke87 / psixas
  A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)
  ☆11Updated last year
• abelcarreras / PyQchem
  Python interface for Q-Chem
  ☆24Updated 2 months ago