Alternatives and similar repositories for corrections

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

• askeys / tutorials
  Computational Statistical Mechanics Tutorials
  ☆15Updated 13 years ago
• grimme-lab / qc2-teaching
  Resources for teaching quantum chemistry courses in Bonn
  ☆42Updated 6 months ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆26Updated 5 months ago
• ExaChem / exachem
  Open Source Exascale Quantum Chemistry Software
  ☆30Updated last week
• votca / csg
  Coarse-graining potentials from atomistic references made easy
  ☆26Updated 4 years ago
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆80Updated 2 weeks ago
• wmfschneider / CBE60547
  Computational Chemistry
  ☆19Updated 6 years ago
• libmbd / libmbd
  Many-body dispersion library
  ☆59Updated 3 months ago
• digital-chemistry-laboratory / libdlfind
  libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library
  ☆23Updated last year
• mosdef-hub / mbuild_tutorials
  A set of tutorials to introduce new users to mBuild
  ☆11Updated 4 years ago
• fevangelista / CHEM532-ElectronicStructure-Notes
  Notes on Electronic Structure Theory (CHEM532)
  ☆25Updated 11 months ago
• rk-lindsey / chimes_calculator
  Tools to interface ChIMES with various external codes.
  ☆25Updated last week
• robashaw / basisopt
  Basis set optimization library for quantum chemistry
  ☆36Updated 7 months ago
• NaveenKaliannan / EwaldSummation
  Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems
  ☆17Updated 8 years ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆36Updated 2 years ago
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆50Updated 4 months ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆78Updated this week
• 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 6 months ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated last year
• jvermaas / LigninBuilder
  VMD Plugin and associated scripts to build lignin structures from topological specifications
  ☆17Updated 6 months ago
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆40Updated last week
• mlund / faunus
  A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
  ☆72Updated last week
• RMeli / Hartree-Fock
  Solution of Hartree-Fock equations within Pople's STO-3G basis set
  ☆40Updated 6 years ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆38Updated this week
• CCQC / summer-program
  Repository for all summer program related programs
  ☆47Updated 5 months ago
• henriasv / molecular-builder
  Builder for molecular systems
  ☆17Updated last week
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated last year
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆85Updated last year
• USCCACS / RXMD
  RXMD : Linear-Scaling Parallel Reactive Molecular Dynamics Simulation Engine
  ☆26Updated last month