Alternatives and similar repositories for qml-lightning

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

• ZimmermanGroup / ZStruct
  code for ZStruct-2
  ☆14Updated 9 months ago
• aspuru-guzik-group / xtb-gaussian
  A wrapper to run xtb inside Gaussian.
  ☆22Updated 4 years ago
• Arif-PhyChem / datasets_and_databases_4_MLPs
  ☆59Updated last month
• Andrew-S-Rosen / xtb_ase
  A fully featured ASE calculator for xTB
  ☆20Updated 8 months ago
• uiocompcat / tmQM
  tmQM dataset files
  ☆53Updated 3 months ago
• atomisticnet / MLP-beginners-guide
  Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)
  ☆28Updated 4 years ago
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆31Updated 10 months ago
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆53Updated 3 weeks ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆27Updated last year
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆38Updated 3 weeks ago
• nigalanakis / Crystal_Math
  Algorithms to analyze and predict molecular structures
  ☆19Updated 9 months ago
• robashaw / geomConvert
  A python utility to convert between XYZ and Z-matrix geometries.
  ☆41Updated 2 years ago
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆52Updated last month
• junminchen / PhyNEO
  For advanced physics-driven combined with neural network enhancement force field.
  ☆12Updated 3 months ago
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆49Updated this week
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆48Updated 9 months ago
• lcmd-epfl / cell2mol
  ☆26Updated 3 weeks ago
• mtzgroup / bigchem
  Distributed system for scaling quantum chemistry computations
  ☆18Updated this week
• robashaw / basisopt
  Basis set optimization library for quantum chemistry
  ☆35Updated this week
• grimme-lab / dxtb
  Efficient And Fully Differentiable Extended Tight-Binding
  ☆95Updated 3 weeks ago
• andysim / helpme
  helPME: an efficient library for particle mesh Ewald
  ☆29Updated 3 years ago
• metatensor / metatrain
  Training and evaluating machine learning models for atomistic systems.
  ☆33Updated this week
• ChengUCB / les
  ☆21Updated this week
• ifilot / pyqint
  An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…
  ☆33Updated 2 weeks ago
• chimie-paristech-CTM / TS-tools
  This is the repository corresponding to the TS-tools project.
  ☆23Updated 2 months ago
• sudarshanv01 / coeffnet
  Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.
  ☆10Updated last year
• lanl / PYSEQM
  an interface to semi-empirical quantum chemistry methods implemented with pytorch
  ☆53Updated this week
• microsoft / accelerated-dft
  Repository to host supporting information and code samples for Accelerated DFT
  ☆26Updated 2 months ago
• z-gong / openmm-velocityVerlet
  OpenMM plugin for simulating electrochemical systems
  ☆20Updated 9 months ago
• zachglick / AP-Net
  AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials
  ☆15Updated 4 years ago