Alternatives and similar repositories for cif_api:

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

• dftlibs / xcfun
  XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
  ☆59Updated 2 years ago
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated last year
• dftlibs / numgrid
  Numerical integration grid for molecules.
  ☆49Updated 3 months ago
• greglandrum / yaehmop
  Yet Another extended Hueckel Molecular Orbital Package
  ☆20Updated 9 months ago
• dgasmith / gau2grid
  Fast computation of a gaussian and its derivative on a grid.
  ☆29Updated 8 months ago
• susilehtola / erkale
  ERKALE -- HF/DFT from Hel
  ☆48Updated 6 months ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆33Updated last year
• sgsaenger / vipster
  Visualization and editing of periodic molecular structure files.
  ☆26Updated last month
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆27Updated this week
• LLNL / mgmol
  MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…
  ☆43Updated this week
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆43Updated 2 months ago
• CCP-NC / soprano
  Soprano - a Python library to crack crystals!
  ☆9Updated last month
• GOMC-WSU / GOMC
  GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
  ☆78Updated last week
• votca / xtp
  GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…
  ☆29Updated 3 years ago
• MolSSI / MIRP
  MolSSI Integral Reference Project
  ☆24Updated 3 years ago
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• rwgk / sginfo
  SgInfo - Space Group Info
  ☆17Updated 2 years ago
• LaurentRDC / crystals
  Data structures, algorithms, and parsing for crystallography
  ☆45Updated this week
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆47Updated this week
• MolSSI-MDI / MDI_Library
  A library that enables code interoperability via the MolSSI Driver Interface.
  ☆33Updated last week
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆58Updated this week
• CPMD-code / CPMD
  The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…
  ☆42Updated last year
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆22Updated last week
• mlund / faunus
  A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
  ☆68Updated 2 months ago
• wavefunction91 / ExchCXX
  Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
  ☆18Updated last week
• berquist / rchem
  Ab initio quantum chemistry in Rust from scratch
  ☆12Updated last week
• tproffen / DiffuseCode
  Suite of programs to simulate disordered and nanomaterials
  ☆56Updated this week
• Jonas-Finkler / ewald-summation
  Efficient and easy to use fortran implementation of the Ewald summation method
  ☆13Updated last year
• yesint / pteros
  Modern and fast molecular analysis and modeling library for C++ and Python
  ☆36Updated 7 months ago