Alternatives and similar repositories for teaching:

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

• fevangelista / vmd_cube
  A Python script for rendering cube files generated by Psi4
  ☆17Updated last month
• 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
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆30Updated 6 months ago
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 5 years ago
• ddsolvation / ddX
  Fast continuum solvation based on domain decomposition
  ☆22Updated 2 months ago
• eljost / thermoanalysis
  Stand-alone thermochemistry in python for ORCA and Gaussian.
  ☆30Updated 4 months ago
• CisnerosResearch / LICHEM
  This package is an open-source (GPLv3) interface between QM and MM software so that QM/MM calculations can be performed with polarizable …
  ☆13Updated 6 months ago
• patonlab / pyDFTD3
  Python version of Grimme's D3-dispersion correction for Gaussian input/output
  ☆16Updated 2 years ago
• ferchault / APDFT
  APDFT calculates quantumchemical results for many molecules at once.
  ☆14Updated last year
• felipelewyee / PyNOF
  ☆14Updated last month
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆24Updated last year
• openrsp / openrsp
  OpenRSP: open-ended response theory.
  ☆16Updated 4 years ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆22Updated 2 years ago
• theochem / PyCI
  A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
  ☆18Updated last week
• grimme-lab / CPCM-X
  Extended conductor-like polarizable continuum solvation model
  ☆18Updated last week
• eriksen-lab / decodense
  decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations
  ☆10Updated 3 months ago
• aspuru-guzik-group / xtb-gaussian
  A wrapper to run xtb inside Gaussian.
  ☆20Updated 4 years ago
• fevangelista / CHEM532-ElectronicStructure-Notes
  Notes on Electronic Structure Theory (CHEM532)
  ☆25Updated last week
• anooplab / pyar
  Python program for aggregation and reaction
  ☆21Updated 4 months ago
• patonlab / pyQRC
  Quick Reaction Coordinate using Python
  ☆38Updated 7 months ago
• ZhaoYilin / moha
  MOHA: MOlecular HAmiltonian
  ☆14Updated last year
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated this week
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆50Updated 3 weeks ago
• CrawfordGroup / lml
  Learning Machine Learning
  ☆15Updated last year
• geem-lab / orcinus
  🧰 A simple yet precise graphical user interface for making inputs for the ORCA quantum chemistry package
  ☆8Updated 3 years ago
• qcscine / swoose
  ☆12Updated 5 months ago
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated 8 months ago
• theochem / denspart
  Atoms-in-molecules density partitioning schemes based on stockholder recipe
  ☆22Updated last week
• grimme-lab / DRACO
  Dynamic Radii Adjustment for COntinuum Solvation
  ☆12Updated last month
• grimme-lab / gcp
  Geometrical Counter-Poise Correction
  ☆11Updated 3 months ago