Alternatives and similar repositories for tutorial

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

• matthewghgriffiths / fastoverlap
  Algorithms for fast alignment of structures in finite and periodic systems.
  ☆14Updated 3 years ago
• jkitchin / dft-course
  Course repository for 06-640 - Molecular simulation
  ☆25Updated 12 years ago
• setten / GW100
  GW100 data repository and post processing tools
  ☆13Updated last year
• pele-python / mcpele
  Monte Carlo and parallel tempering routines built on the pele foundation
  ☆22Updated last year
• HPQC-LABS / AI_ENERGIES
  Ab Initio Energies
  ☆10Updated 3 weeks ago
• CCP-NC / soprano
  Soprano - a Python library to crack crystals!
  ☆12Updated 2 weeks ago
• devinamatthews / aquarius
  Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …
  ☆28Updated last year
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆28Updated this week
• aoterodelaroza / refdata
  Benchmark data for density-functional theory method development.
  ☆15Updated 2 months ago
• loriab / qcdb
  Databases and Interoperability in Quantum Chemistry
  ☆13Updated 7 years ago
• Mostafa-sh / psp-converter
  Pseudopotential converter from upf to psp8
  ☆11Updated 2 years ago
• alexvakimov / pyxaid-code
  The main branch of the Pyxaid code
  ☆12Updated 8 years ago
• binghuang2018 / aqml
  Amons-based quantum machine learning for quantum chemistry
  ☆25Updated 3 years ago
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆27Updated 4 months ago
• susilehtola / HelFEM
  Finite element methods for electronic structure calculations on small systems
  ☆41Updated 3 months ago
• jaapkroe / polypy
  polygon (ring network) discovery from XYZ files
  ☆10Updated 9 years ago
• CCQC / Quax
  Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
  ☆69Updated last year
• ericchansen / q2mm
  Quantum to Molecular Mechanics (Q2MM)
  ☆22Updated 2 years ago
• diffpy / pyobjcryst
  Python bindings to ObjCryst++ Object-Oriented Crystallographic Library
  ☆17Updated 2 months ago
• aspuru-guzik-group / phoenics
  Phoenics: Bayesian optimization for efficient experiment planning
  ☆93Updated 6 years ago
• nlesc-nano / auto-FOX
  A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
  ☆11Updated last year
• CheML / CheML
  Machine learning tools for Chemistry
  ☆10Updated 7 years ago
• MihailBogojeski / ml-dft
  A package for density functional approximation using machine learning.
  ☆27Updated 5 years ago
• google / differentiable-atomistic-potentials
  Automatically differentiable atomistic potentials for molecular simulations
  ☆56Updated 7 years ago
• semodi / neuralxc
  Implementation of a machine learned density functional
  ☆35Updated last year
• RMeli / irc
  Transfrormation between Cartesian coordinates and redundant internal coordinates
  ☆25Updated 3 years ago
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• lanl / qmd-progress
  PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
  ☆26Updated this week
• h5md / VMD-h5mdplugin
  This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5…
  ☆11Updated 6 years ago
• dceresoli / PStudio
  Pseudopotential Studio
  ☆20Updated 4 years ago