Alternatives and similar repositories for LibRI:

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

• igor-1982 / rest
  ☆27Updated last week
• sunqm / py-qc-book
  ☆23Updated 3 months ago
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆22Updated 2 years ago
• John-zzh / pyscf_TDDFT_ris
  efficient TDDFT-ris based on MOKIT and PySCF
  ☆15Updated this week
• igor-1982 / xDH4Gau
  A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)
  ☆14Updated 2 years ago
• chinder753 / computational_chemistry_guidance
  收集了一些计算化学相关的推荐资料。
  ☆15Updated 2 weeks ago
• ajz34 / Py_xDH
  Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
  ☆60Updated 10 months ago
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆22Updated 8 years ago
• QijingZheng / VASP_FermiSurface
  ☆26Updated 2 years ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆22Updated 8 months ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆34Updated this week
• dcccc / Plane_Wave_DFT
  plane wave basis set density functional thoery code
  ☆18Updated this week
• Walter-Feng / Hartree-Fock-in-CPP
  Hartree-Fock code written in full C++ standard
  ☆25Updated 8 months ago
• Quantum-Dynamics-Hub / pyxaid2
  ☆11Updated 6 years ago
• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆23Updated 6 years ago
• mzjb / xDeepH
  Extended DeepH (xDeepH) method for magnetic materials.
  ☆35Updated last year
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆28Updated last year
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆50Updated last year
• MatthewRHermes / mrh
  MRH's research code
  ☆21Updated last week
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆20Updated 2 years ago
• ccme-tmc / tmckit
  ☆11Updated 4 years ago
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆24Updated 2 months ago
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆31Updated 3 years ago
• pylada / pylada-defects
  A computational framework to automate point defect calculations
  ☆35Updated 6 years ago
• Quantum-Dynamics-Hub / libra-code
  ☆51Updated last week
• rjdirisio / pyvibdmc
  A general purpose library to study vibrational problems using diffusion monte carlo
  ☆14Updated 3 months ago
• yuzie007 / upho
  Band unfolding for phonons
  ☆51Updated 2 months ago
• DMFTwDFT-project / DMFTwDFT
  DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
  ☆56Updated 2 years ago