Alternatives and similar repositories for PySCF_Tutorial

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

• HQSquantumsimulations / ActiveSpaceFinder
  ☆29Updated 10 months ago
• pyscf / pyscf.github.io
  PySCF website and documentation
  ☆37Updated last month
• PacktPublishing / Quantum-Chemistry-and-Computing-for-the-Curious
  Quantum Chemistry and Computing for the Curious, published by Packt
  ☆51Updated last year
• lanl / qmd-progress
  PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
  ☆26Updated 2 weeks ago
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆42Updated this week
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆11Updated 3 years ago
• aromanro / DFTAtom
  Density Functional Theory in real space, for atoms, LDA and LSDA
  ☆30Updated last year
• rrmeister / pyQuEST
  Python interface for the Quantum Exact Simulation Toolkit (QuEST)
  ☆20Updated 3 weeks ago
• evangelistalab / qforte
  ☆55Updated last year
• hrgrimsl / adapt
  ☆16Updated 2 years ago
• jjgoings / VQE
  Variational Quantum Eigensolver (VQE) from scratch on molecular hydrogen
  ☆15Updated 4 years ago
• nmardirossian / PySCF_Tutorial
  ☆30Updated 7 years ago
• Arif-PhyChem / MLQD
  MLQD is a Python Package for Machine Learning-based Quantum Dissipative Dynamics
  ☆16Updated last year
• sunqm / pyscf
  Python module for quantum chemistry
  ☆76Updated this week
• pyscf / dmrgscf
  DMRG and DMRGSCF
  ☆14Updated last year
• opencdft / cdftpy
  ☆13Updated 3 years ago
• pyscf / mpi4pyscf
  MPI parallelization for PySCF
  ☆34Updated last year
• USCCACS / MISTIQS
  A full-stack, cross-platform software for generating, compiling, and executing quantum circuits for simulating quantum many-body dynamics…
  ☆17Updated 4 years ago
• tencent-quantum-lab / TenCirChem
  Quantum computational chemistry based on TensorCircuit
  ☆70Updated 4 months ago
• UCL-CCS / Nbed
  Python package to reduce the qubit requirements of quantum simulation by embedding into DFT.
  ☆10Updated last week
• HyQD / quantum-systems
  Quantum systems containing matrix elements for second quantized solvers
  ☆10Updated last year
• QWalk / mainline
  The mainline development distribution for QWalk
  ☆35Updated 6 years ago
• jjgoings / pyqchem
  Python quantum chemistry (experimental and test routines)
  ☆12Updated 4 years ago
• hackingmaterials / rocketsled
  plug-n-play black box optimizer for high-throughput computing
  ☆51Updated 2 years ago
• bjmorgan / lattice_mc
  Lattice gas Monte Carlo simulation code
  ☆35Updated 5 years ago
• jjgoings / davidson
  davidson iterative diagonalizer
  ☆12Updated 4 years ago
• twoXes / awesome-quantum-chemistry
  Quantum Chemistry is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew …
  ☆21Updated 2 years ago
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• molsturm / molsturm
  A modular electronic structure theory code
  ☆21Updated 7 years ago
• berkelbach-group / pyrho
  a python package for reduced density matrix techniques
  ☆16Updated 5 years ago