Alternatives and similar repositories for hf-tutorial

Users that are interested in hf-tutorial are comparing it to the libraries listed below

• Walter-Feng / Hartree-Fock-in-CPP
  Hartree-Fock code written in full C++ standard
  ☆28Updated last year
• chinder753 / computational_chemistry_guidance
  收集了一些计算化学相关的推荐资料。
  ☆23Updated 5 months ago
• Warlocat / A-Not-So-Short-Guide-for-LinJun-Group
  浙江大学王林军课题组入门指南
  ☆74Updated 5 years ago
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆23Updated 8 years ago
• ajz34 / Py_xDH
  Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
  ☆62Updated last year
• RimoAccelerator / KST48
  ☆20Updated 4 months ago
• zglan / JADE-NAMD
  JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation
  ☆18Updated 4 years ago
• sunqm / py-qc-book
  ☆32Updated 8 months ago
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆22Updated 2 years ago
• bytedance / byteqc
  ☆83Updated 2 weeks ago
• John-zzh / TDDFT_Davidson
  a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF
  ☆11Updated 9 months ago
• 1234zou / MOKIT
  Orbital transfer and automatic multi-reference calculation for quantum chemistry
  ☆46Updated last month
• jeanwsr / S-O-MQC-HW
  Solutions for Modern Quantum Chemistry, Szabo & Ostlund
  ☆94Updated 4 months ago
• zhangylch / REANN
  ☆59Updated 6 months ago
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated last week
• gaox-qd / pysoc
  PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+
  ☆41Updated last year
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆106Updated last year
• smparker / mudslide
  Python implementation of Tully's Fewest Switches Surface Hopping
  ☆18Updated 2 weeks ago
• Quantum-Dynamics-Hub / libra-code
  ☆52Updated 2 weeks ago
• blevine37 / pySpawn17
  A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations
  ☆23Updated 4 months ago
• dftbplus / skprogs
  Basic programs for generating Slater-Koster files for the DFTB-method
  ☆26Updated 4 months ago
• CCQC / PES-Learn
  Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces
  ☆72Updated last week
• sharc-md / sharc
  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…
  ☆73Updated last month
• John-zzh / pyscf_TDDFT_ris
  efficient TDDFT-ris based on MOKIT and PySCF
  ☆17Updated 4 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆68Updated 3 weeks ago
• lanl / NEXMD
  ☆30Updated last year
• deepmodeling / DeePTB
  DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.
  ☆77Updated 2 weeks ago
• dralgroup / MLinQCbook22
  ☆26Updated 2 years ago
• Xiaoxun-Gong / DeepH-E3
  ☆97Updated 2 years ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆61Updated 7 months ago