Alternatives and similar repositories for S-O-MQC-HW

Users that are interested in S-O-MQC-HW are comparing it to the libraries listed below

• ajz34 / Py_xDH
  Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
  ☆67Updated 4 months ago
• sunqm / py-qc-book
  ☆44Updated last year
• dralgroup / MLinQCbook22
  ☆28Updated 3 years ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆32Updated 3 years ago
• Quantum-Dynamics-Hub / libra-code
  ☆53Updated last week
• CCQC / summer-program
  Repository for all summer program related programs
  ☆47Updated 4 months ago
• yangjunjie0320 / hf-tutorial
  ☆37Updated this week
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆84Updated last year
• bytedance / byteqc
  ☆112Updated 6 months ago
• gaox-qd / pysoc
  PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+
  ☆46Updated last year
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆23Updated 9 years ago
• skmin-lab / unixmd
  ☆23Updated last week
• ipudu / SCFpy
  🎉 Simple restricted Hartree-Fock code in Python
  ☆37Updated 7 years ago
• deepmodeling / DeePTB
  DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.
  ☆94Updated this week
• RMeli / Hartree-Fock
  Solution of Hartree-Fock equations within Pople's STO-3G basis set
  ☆40Updated 6 years ago
• aromanro / HartreeFock
  A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaus…
  ☆67Updated this week
• zhangylch / REANN
  ☆62Updated last year
• zglan / JADE-NAMD
  JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation
  ☆19Updated 4 years ago
• erikkjellgren / SlowQuant
  ☆48Updated this week
• ifilot / pypwdft
  Python-based plane wave density functional theory code for educational purposes
  ☆33Updated 9 months ago
• 1234zou / MOKIT
  Orbital transfer and automatic multi-reference calculation for quantum chemistry
  ☆63Updated this 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…
  ☆76Updated 7 months ago
• Walter-Feng / Hartree-Fock-in-CPP
  Hartree-Fock code written in full C++ standard
  ☆28Updated last year
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆116Updated last year
• i-pi / pimd-mooc
  Interactive tutorials for the PIMD Massive Open Online Course
  ☆24Updated 2 years ago
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆31Updated 2 years ago
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆141Updated 2 years ago
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆22Updated 3 years ago
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆144Updated last week
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆40Updated last week