Alternatives and similar repositories for qml-lightning

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

• lanl / PYSEQM
  an interface to semi-empirical quantum chemistry methods implemented with pytorch
  ☆71Updated this week
• grimme-lab / dxtb
  Efficient And Fully Differentiable Extended Tight-Binding
  ☆111Updated last week
• ByteDance-Seed / bamboo_mixer
  ☆24Updated 3 weeks ago
• ReactionMechanismGenerator / AutoTST
  AutoTST: A framework to perform automated transition state theory calculations
  ☆44Updated last year
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆56Updated last week
• Arif-PhyChem / datasets_and_databases_4_MLPs
  ☆65Updated last week
• aspuru-guzik-group / xtb-gaussian
  A wrapper to run xtb inside Gaussian.
  ☆23Updated 5 years ago
• qcscine / chemoton
  ☆54Updated 2 months ago
• theochem / chemtools
  A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
  ☆53Updated last year
• uiocompcat / tmQM
  tmQM dataset files
  ☆60Updated 9 months ago
• metatensor / metatrain
  Train, fine-tune, and manipulate machine learning models for atomistic systems
  ☆50Updated this week
• junminchen / PhyNEO
  For advanced physics-driven combined with neural network enhancement force field.
  ☆17Updated this week
• MDAnalysis / transport-analysis
  A Python package to compute and analyze transport properties.
  ☆16Updated 4 months ago
• sudarshanv01 / coeffnet
  Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.
  ☆12Updated last year
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆64Updated 2 weeks ago
• lanl / Architector
  The architector python package - for 3D metal complex design. C22085
  ☆74Updated 2 weeks ago
• z-gong / openmm-velocityVerlet
  OpenMM plugin for simulating electrochemical systems
  ☆21Updated last year
• lanl / hippynn
  python library for atomistic machine learning
  ☆89Updated last month
• qcscine / sparrow
  ☆86Updated 2 months ago
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆50Updated 2 months ago
• patonlab / pyQRC
  Quick Reaction Coordinate using Python
  ☆39Updated last year
• ddsolvation / ddX
  Fast continuum solvation based on domain decomposition
  ☆26Updated last month
• khegazy / popcornn
  ☆15Updated 2 weeks ago
• grimme-lab / g-xtb
  Development versions of the g-xTB method. Final implementation will not happen here but in tblite (https://github.com/tblite/tblite).
  ☆119Updated 4 months ago
• tjz21 / DFT_PIB_Code
  Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
  ☆78Updated last month
• microsoft / accelerated-dft
  Repository to host supporting information and code samples for Accelerated DFT
  ☆35Updated 7 months ago
• ZimmermanGroup / ZStruct
  code for ZStruct-2
  ☆14Updated last year
• selimsami / qforce
  ☆61Updated 5 months ago
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆55Updated last week
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆58Updated 4 months ago