Alternatives and similar repositories for MLQD

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

• evangelistalab / qforte
  ☆53Updated 10 months ago
• jjgoings / davidson
  davidson iterative diagonalizer
  ☆12Updated 4 years ago
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆24Updated last year
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆34Updated this week
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆51Updated this week
• berkelbach-group / pyrho
  a python package for reduced density matrix techniques
  ☆16Updated 4 years ago
• pyscf / mpi4pyscf
  MPI parallelization for PySCF
  ☆34Updated 8 months ago
• QMCPACK / qmc_workshop_2021
  Files for QMC Workshop 2021
  ☆57Updated 3 years ago
• jjgoings / VQE
  Variational Quantum Eigensolver (VQE) from scratch on molecular hydrogen
  ☆15Updated 4 years ago
• shuaigroup / Renormalizer
  Quantum dynamics package based on tensor network states
  ☆60Updated 2 months ago
• nmardirossian / PySCF_Tutorial
  ☆30Updated 7 years ago
• CrawfordGroup / MLQM
  Machine-learning quantum mechanics
  ☆10Updated 4 years ago
• aspuru-guzik-group / DiffiQult
  A fully autodifferentiable and variational HF
  ☆42Updated 5 years ago
• freude / negf
  The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…
  ☆12Updated 6 years ago
• f-fathurrahman / ImplementingDFT
  Draft for my book about implementing density functional theory
  ☆19Updated 3 months ago
• spglib / spgrep
  On-the-fly generator of space-group irreducible representations
  ☆52Updated this week
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆36Updated 5 months ago
• LCPQ / qcmath
  Mathematica modules for electronic structure calculations
  ☆34Updated last year
• ncfrey / pytopomat
  Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
  ☆30Updated 4 years ago
• cc-ats / qed-tddft
  Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis
  ☆14Updated 2 months ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆18Updated 2 years ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆36Updated 2 years ago
• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 2 years ago
• CompPhysVienna / MLSummerSchoolVienna2022
  ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"
  ☆39Updated 2 years ago
• WagnerGroup / pyqmc
  Python library for real space quantum Monte Carlo
  ☆92Updated this week
• jwa7 / quantum_HEOM
  A tool to model the bath relaxation dynamics of open quantum systems by Lindblad and Hierarchical Equations of Motion (HEOM) approaches.
  ☆22Updated 2 years ago
• tomdbar / naqs-for-quantum-chemistry
  Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".
  ☆40Updated 3 years ago
• theochem / PyCI
  A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
  ☆20Updated 3 months ago
• hema-ted / pycdft
  ☆30Updated 5 years ago
• TRIQS / solid_dmft
  solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
  ☆35Updated 2 weeks ago