Alternatives and similar repositories for CHEM532-ElectronicStructure-Notes:

Users that are interested in CHEM532-ElectronicStructure-Notes are comparing it to the libraries listed below

• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆30Updated 2 weeks ago
• CrawfordGroup / lml
  Learning Machine Learning
  ☆15Updated last year
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated 9 months ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated 2 years ago
• theochem / PyCI
  A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
  ☆19Updated last week
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated last month
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated last month
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆24Updated last year
• kgururangan / Quantum-Chemistry
  Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…
  ☆16Updated 3 years ago
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆20Updated 9 months ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆23Updated 2 years ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆13Updated last week
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆19Updated this week
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆20Updated 3 weeks ago
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 5 years ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆34Updated this week
• hema-ted / pycdft
  ☆31Updated 4 years ago
• tyst3273 / pynamic-structure-factor
  python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…
  ☆18Updated 2 months ago
• sunqm / pbchf
  An example to implement PBC SCF
  ☆13Updated 6 years ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆14Updated this week
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• PaulWAyers / IntroQChem
  Quantum Chemistry
  ☆23Updated 3 years ago
• dilkins / TENSOAP
  Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)
  ☆20Updated last month
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆38Updated last week
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆35Updated this week
• i-pi / pimd-mooc
  Interactive tutorials for the PIMD Massive Open Online Course
  ☆22Updated last year
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆45Updated 6 months ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• CCQC / summer-program
  Repository for all summer program related programs
  ☆44Updated last year
• fevangelista / vmd_cube
  A Python script for rendering cube files generated by Psi4
  ☆17Updated this week