Alternatives and similar repositories for py3nj

Users that are interested in py3nj are comparing it to the libraries listed below

• y1xiaoc / fwdlap
  Forward mode laplacian implemented in JAX tracer
  ☆29Updated 6 months ago
• EDRIXS / edrixs
  An open source toolkit for simulating RIXS spectra based on ED
  ☆35Updated 3 weeks ago
• CCQC / Quax
  Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
  ☆70Updated last year
• BoothGroup / GPSKet
  GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.
  ☆17Updated last week
• lin-lin / 2018Fall_275
  Mathematical Introduction to Electronic Structure Theory
  ☆47Updated 6 years ago
• niklasschmitz / ad-kernels
  Code for the paper "Algorithmic Differentiation for Automatized Modelling of Machine Learned Force Fields"
  ☆12Updated 2 years ago
• jeffminlin / vmcnet
  Flexible, general-purpose VMC framework, built on JAX.
  ☆27Updated 4 months ago
• li012589 / neuralCT
  Pytorch implement of the paper Neural Canonical Transformation with Symplectic Flows
  ☆29Updated 5 years ago
• iaifi / summer-school-2022
  ☆16Updated 3 years ago
• buwantaiji / FermiFlow
  Ab-initio simulation of interacting fermions with equivariant normalizing flow.
  ☆34Updated 2 years ago
• buwantaiji / DominantSparseEigenAD
  Reverse-mode AD of dominant sparse eigensolver using Pytorch.
  ☆41Updated 5 years ago
• tomdbar / naqs-for-quantum-chemistry
  Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".
  ☆40Updated 3 years ago
• aspuru-guzik-group / DiffiQult
  A fully autodifferentiable and variational HF
  ☆42Updated 5 years ago
• fjosw / pyerrors
  Error propagation and statistical analysis for Monte Carlo simulations in lattice QCD and statistical mechanics using autograd.
  ☆48Updated 2 months ago
• rmnfournier / ACANN
  Solving an Analytic Continuation problem with a deep Artificial Neural Network (ANN)
  ☆20Updated 6 years 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
• NLESC-JCER / QMCTorch
  Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems
  ☆28Updated 3 months ago
• diffqc / dqc
  Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
  ☆114Updated 3 years ago
• Shiling42 / XY-MODEL
  Monte Carlo simulation on 2D XY-model
  ☆25Updated 6 years ago
• jjgoings / pade
  do the Fourier transform using the method of Padé approximants
  ☆22Updated 9 months ago
• f-fathurrahman / ffr-ElectronicStructure.jl
  Electronic structure calculations using Julia
  ☆14Updated 3 years ago
• rajeshrinet / pygl
  PyGL: statistical field theory in Python. github.com/rajeshrinet/pygl
  ☆28Updated 3 months ago
• ACEsuit / ACE.jl
  Parameterisation of Equivariant Properties of Particle Systems
  ☆65Updated 8 months ago
• susilehtola / HelFEM
  Finite element methods for electronic structure calculations on small systems
  ☆40Updated 2 months ago
• josefkaufmann / ana_cont
  Package for analytic continuation of many-body Green's functions
  ☆46Updated 10 months ago
• bytedance / netobs
  Calculate observables from neural network-based VMC (NN-VMC).
  ☆15Updated 4 months ago
• mfherbst / juliacon_dft_workshop
  A mathematical look on density-functional theory and DFTK
  ☆34Updated 4 years ago
• maxxxzdn / jax-geometric
  Implementation of various equivariant models in JAX
  ☆12Updated last year
• lukasheinrich / pyhep2020-autodiff-tutorial
  ☆33Updated 4 years ago
• JuliaMolSim / ASE.jl
  Julia Bindings for Atomic Simulation Environment
  ☆38Updated 4 years ago