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    7 repositories

    • deepqmc

      Public
      Deep learning quantum Monte Carlo for electrons in real space
      deep-learningquantum-chemistryquantum-monte-carloelectrons
      Python
      •
      MIT License
      •60•349•3•0•Updated Sep 24, 2024Sep 24, 2024

    • deepqmc.github.io

      Public
      DeepQMC documentation
      HTML
      •0•2•0•0•Updated Sep 16, 2024Sep 16, 2024

    • pytorch-kfac

      Public
      Pytorch implementation of KFAC - this is a port of https://github.com/tensorflow/kfac/
      Python
      •
      Apache License 2.0
      •5•0•0•0•Updated Jun 5, 2024Jun 5, 2024

    • deepqmc-torch

      Public
      This repository holds the latest torch version of the deepqmc package.
      Python
      •
      MIT License
      •0•0•0•0•Updated Dec 6, 2022Dec 6, 2022

    • ferminet

      Public
      An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations
      Python
      •
      Apache License 2.0
      •125•1•0•0•Updated Feb 8, 2022Feb 8, 2022

    • deeperwin

      Public
      DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electron Schrödinger equation. DeepErwin supports weight-sharing when optimizing wave functions for multiple nuclear geometries and the usage of pre-trained neural network weights to accelerate optimization.
      Python
      •
      Other
      •7•0•0•0•Updated Feb 5, 2022Feb 5, 2022

    • torch-kfac

      Public
      K-FAC for PyTorch
      Python
      •
      Mozilla Public License 2.0
      •0•2•0•0•Updated Mar 9, 2021Mar 9, 2021