Alternatives and similar repositories for CHEM532-ElectronicStructure-Notes:

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

• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated 2 years ago
• theochem / PyCI
  A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
  ☆18Updated last month
• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆30Updated 6 months 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 7 months ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated 3 weeks ago
• 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
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 5 years ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated 3 weeks ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆22Updated 2 years ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆36Updated last week
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆43Updated 3 months ago
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆20Updated 5 months ago
• sunqm / pbchf
  An example to implement PBC SCF
  ☆13Updated 6 years ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• qcserenity / serenity
  The release-only repository of the subsystem focused quantum chemistry code Serenity
  ☆32Updated last month
• PaulWAyers / IntroQChem
  Quantum Chemistry
  ☆23Updated 2 years ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆31Updated this week
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆24Updated last year
• tbmalt / tbmalt
  Tight Binding Machine Learning Toolkit
  ☆35Updated 2 weeks ago
• ddsolvation / ddX
  Fast continuum solvation based on domain decomposition
  ☆21Updated last month
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆32Updated this week
• piecuch-group / cct3
  CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…
  ☆13Updated last year
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆32Updated this week
• sokolov-group / prism
  Python-based implementation of electronic structure theories for simulating spectroscopic properties
  ☆12Updated this week
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆30Updated 5 months ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated last week
• peverati / ACCDB
  A Computational Chemistry DataBase
  ☆35Updated 3 years ago
• west-code-development / West
  WEST code
  ☆19Updated 2 months ago
• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆19Updated this week