Alternatives and similar repositories for JeLLyFysh

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

• lin-lin / 2018Fall_275
  Mathematical Introduction to Electronic Structure Theory
  ☆47Updated 6 years ago
• f-fathurrahman / PWDFT.jl
  Plane wave density functional theory using Julia programming language
  ☆120Updated this week
• IlianPihlajamaa / ModeCouplingTheory.jl
  A generic and fast solver of mode-coupling theory-like integrodifferential equations
  ☆21Updated 2 weeks ago
• NLESC-JCER / QMCTorch
  Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems
  ☆28Updated 3 months ago
• NQCD / NQCDynamics.jl
  Fast and flexible nonadiabatic molecular dynamics in Julia!
  ☆64Updated this week
• QMCPACK / qmc_workshop_2021
  Files for QMC Workshop 2021
  ☆57Updated 3 years ago
• WagnerGroup / pyqmc
  Python library for real space quantum Monte Carlo
  ☆92Updated last month
• Shiling42 / XY-MODEL
  Monte Carlo simulation on 2D XY-model
  ☆25Updated 6 years ago
• FermiQC / GaussianBasis.jl
  Package to handle integrals over Gaussian-type atomic orbitals.
  ☆29Updated 2 months ago
• CompPhysVienna / MLSummerSchoolVienna2022
  ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"
  ☆39Updated 3 years ago
• JoonhoLee-Group / ipie
  ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.
  ☆57Updated 2 months ago
• davpoolechem / JuliaChem.jl
  A research-grade quantum chemistry program written in Julia
  ☆66Updated 4 years ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆37Updated 2 years ago
• aspuru-guzik-group / DiffiQult
  A fully autodifferentiable and variational HF
  ☆42Updated 5 years ago
• bytedance / DeepSolid
  A library combining solid quantum Monte Carlo and neural network.
  ☆43Updated 8 months ago
• BoothGroup / GPSKet
  GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.
  ☆17Updated this week
• iamc / ML-CM-2019
  Machine Learning in Condensed Matter Physics 2019 course repository
  ☆61Updated 5 years ago
• XanaduAI / GradDFT
  GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…
  ☆103Updated last year
• wangleiphy / ml4p
  Machine learning for physicists
  ☆135Updated 2 years ago
• CCQC / Quax
  Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
  ☆70Updated last year
• mala-project / mala
  Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
  ☆94Updated last week
• jsspencer / pyblock
  python module for performing blocking analysis on data containing serial correlations
  ☆43Updated last year
• quantum-kite / kite
  KITE Quantum Transport Software
  ☆33Updated 3 months ago
• fishjojo / pyscfad
  PySCF with auto-differentiation
  ☆84Updated last week
• QMCPACK / qmcpack_workshop_2019
  QMCPACK Users Workshop 2019
  ☆13Updated 6 years ago
• whaley-group-berkeley / qspectra
  Quantum simulations of nonlinear spectroscopy and dynamics for molecular aggregates
  ☆18Updated 3 years ago
• SamChill / hartree-fock
  A simple Hartree-Fock implementation in Julia
  ☆14Updated 5 years ago
• block-hczhai / pyblock3-preview
  pyblock3: an efficient python block-sparse tensor library
  ☆28Updated 2 weeks ago
• mdsunivie / deeperwin
  DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…
  ☆59Updated 4 months ago
• mfherbst / juliacon_dft_workshop
  A mathematical look on density-functional theory and DFTK
  ☆34Updated 4 years ago