Alternatives and similar repositories for qml

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

• sunqm / pyscf
  Python module for quantum chemistry
  ☆74Updated this week
• rpmuller / pyquante2
  Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
  ☆155Updated last year
• psi4 / psi4numpy
  Combining Psi4 and Numpy for education and development.
  ☆370Updated last year
• MolSSI / QCSchema
  A Schema for Quantum Chemistry
  ☆99Updated 2 years ago
• ChiCheng45 / Gaussium
  A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.
  ☆67Updated 4 years ago
• quantumlib / OpenFermion-PySCF
  OpenFermion plugin to interface with the electronic structure package PySCF.
  ☆108Updated 3 months ago
• sandbox-quantum / Tangelo
  A python package for exploring end-to-end chemistry workflows on quantum computers and simulators.
  ☆123Updated 6 months ago
• atomistic-machine-learning / dtnn
  Deep Tensor Neural Network
  ☆77Updated 8 years ago
• MolSSI / QCElemental
  Periodic table, physical constants, and molecule parsing for quantum chemistry.
  ☆164Updated 2 weeks ago
• quantumlib / OpenFermion-Psi4
  OpenFermion plugin to interface with the electronic structure package Psi4.
  ☆87Updated 4 months ago
• jparkhill / TensorMol
  Tensorflow + Molecules = TensorMol
  ☆275Updated 4 years ago
• tmpchem / computational_chemistry
  Files used in TMP Chem videos on computational chemistry
  ☆229Updated 5 years ago
• evangelistalab / qforte
  ☆53Updated 10 months ago
• fishjojo / pyscfad
  PySCF with auto-differentiation
  ☆81Updated 2 weeks ago
• MolSSI / QCEngine
  Quantum chemistry program executor and IO standardizer (QCSchema).
  ☆185Updated 2 weeks ago
• isayev / ASE_ANI
  ANI-1 neural net potential with python interface (ASE)
  ☆224Updated last year
• diffqc / dqc
  Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
  ☆113Updated 3 years ago
• tencent-quantum-lab / TenCirChem
  Quantum computational chemistry based on TensorCircuit
  ☆65Updated 7 months ago
• ipudu / SCFpy
  🎉 Simple restricted Hartree-Fock code in Python
  ☆36Updated 6 years ago
• isayev / ANI1_dataset
  A data set of 20 million calculated off-equilibrium conformations for organic molecules
  ☆98Updated 2 years ago
• HQSquantumsimulations / ActiveSpaceFinder
  ☆25Updated 6 months ago
• WagnerGroup / pyqmc
  Python library for real space quantum Monte Carlo
  ☆92Updated this week
• XanaduAI / GradDFT
  GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…
  ☆101Updated last year
• MolSSI / QCFractal
  A distributed compute and database platform for quantum chemistry.
  ☆152Updated this week
• NLESC-JCER / QMCTorch
  Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems
  ☆28Updated last month
• theochem / iodata
  Python library for reading, writing, and converting computational chemistry file formats and generating input files.
  ☆137Updated last month
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆122Updated 2 years ago
• biklooost / PROPhet
  PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches
  ☆65Updated 7 years ago
• orbkit / orbkit
  A Toolbox for Post-Processing Quantum Chemical Wavefunction Data
  ☆97Updated 3 years ago
• aromanro / HartreeFock
  A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaus…
  ☆62Updated 11 months ago