Alternatives and similar repositories for hydrogen:

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

• jeffminlin / vmcnet
  Flexible, general-purpose VMC framework, built on JAX.
  ☆26Updated 3 weeks ago
• CompPhysVienna / MLSummerSchoolVienna2022
  ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"
  ☆36Updated 2 years ago
• tomdbar / naqs-for-quantum-chemistry
  Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".
  ☆41Updated 2 years ago
• buwantaiji / FermiFlow
  Ab-initio simulation of interacting fermions with equivariant normalizing flow.
  ☆34Updated 2 years ago
• dftlibs / xcauto
  Arbitrary order exchange-correlation functional derivatives using JAX.
  ☆22Updated 4 years ago
• fermiflow / CoulombGas
  Finite-temperature variational Monte Carlo calculation of uniform electron gas using neural canonical transformation.
  ☆15Updated last year
• BoothGroup / GPSKet
  GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.
  ☆16Updated last month
• y1xiaoc / fwdlap
  Forward mode laplacian implemented in JAX tracer
  ☆29Updated last month
• bytedance / netobs
  Calculate observables from neural network-based VMC (NN-VMC).
  ☆13Updated last month
• lin-lin / 2018Fall_275
  Mathematical Introduction to Electronic Structure Theory
  ☆45Updated 6 years ago
• n-gao / pesnet
  Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…
  ☆30Updated 10 months ago
• frankwswang / Quiqbox.jl
  Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure…
  ☆34Updated 2 weeks ago
• lin-lin / Quantum290
  290 seminar for 2020 fall - 2021 summer
  ☆28Updated 3 weeks ago
• NLESC-JCER / QMCTorch
  Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems
  ☆26Updated this week
• unixtomato / nmcrg
  Neural Monte Carlo Renormalization Group
  ☆15Updated 4 years ago
• refraction-ray / admc
  Infinite order automatic differentiation for Monte Carlo with unnormalized probability distribution
  ☆23Updated 2 years ago
• tatsushi-ikeda / pyheom
  PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory
  ☆15Updated 2 years ago
• EverettYou / AutoregressiveStatMech
  Autoregressive model for solving statistical mechanics problems
  ☆11Updated 4 years ago
• blondegeek / e3nn_symm_breaking
  Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"
  ☆14Updated 4 years ago
• lcmd-epfl / Q-stack
  Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)
  ☆18Updated this week
• nikita-astronaut / nqs_frustrated_phase
  ☆10Updated 5 years ago
• rgmelko / QMC_TFIM.jl
  A projector QMC implementation of the transverse field Ising model
  ☆11Updated 4 years ago
• f-fathurrahman / ImplementingDFT
  Draft for my book about implementing density functional theory
  ☆18Updated 2 weeks ago
• RodrigoAVargasHdz / huxel
  Huxel: Huckel model + JAX (parameter optimization)
  ☆10Updated 2 years ago
• eljost / sympleints
  Molecular integrals over Gaussian basis functions using sympy.
  ☆14Updated 6 months ago
• QuantumBFS / YaoTensorNetwork.jl
  Dump a quantum circuit in Yao to a tensor network graphical model
  ☆11Updated 4 years ago
• ClarkResearchGroup / cgs-vmc
  Computational graph states for variational monte carlo
  ☆15Updated 5 years ago
• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 2 years ago
• QMagen / PyQMagen
  A method which combines quantum many-body calculation and unbiased optimizers to automatically learn effective Hamiltonians for quantum m…
  ☆24Updated 3 years ago
• aspuru-guzik-group / DiffiQult
  A fully autodifferentiable and variational HF
  ☆41Updated 4 years ago