Alternatives and similar repositories for WignerD:

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

• tomdbar / naqs-for-quantum-chemistry
  Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".
  ☆41Updated 2 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…
  ☆54Updated 3 months ago
• bytedance / jaqmc
  JAX accelerated Quantum Monte Carlo
  ☆73Updated 3 weeks ago
• CompPhysVienna / MLSummerSchoolVienna2022
  ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"
  ☆36Updated 2 years ago
• XanaduAI / GradDFT
  GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…
  ☆84Updated last year
• diffqc / dqc
  Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
  ☆109Updated 3 years ago
• SparkyTruck / deepmd-jax
  A lightweight DeepPotentialMD with JAX backend, and more than that! Built for both performance and flexibility in pure Python.
  ☆28Updated 3 weeks ago
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆72Updated last year
• fishjojo / pyscfad
  PySCF with auto-differentiation
  ☆77Updated last week
• sail-sg / d4ft
  A JAX library for Density Functional Theory.
  ☆51Updated last month
• n-gao / pesnet
  Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…
  ☆30Updated 9 months ago
• mariogeiger / nequip-jax
  ☆23Updated last year
• ACEsuit / ACEhamiltonians.jl
  ☆15Updated 3 months ago
• aspuru-guzik-group / DiffiQult
  A fully autodifferentiable and variational HF
  ☆41Updated 4 years ago
• deepmodeling / CrystalFormer
  Space Group Informed Transformer for Crystalline Materials Generation
  ☆63Updated 7 months ago
• zichunhao / lgn-autoencoder
  Lorentz group equivariant autoencoders based on Lorentz Group Network
  ☆11Updated last year
• felixmusil / torch_nl
  ☆17Updated 2 years ago
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆19Updated 6 months ago
• RMeli / Hartree-Fock
  Solution of Hartree-Fock equations within Pople's STO-3G basis set
  ☆36Updated 5 years ago
• mariogeiger / allegro-jax
  ☆21Updated 11 months ago
• dcccc / Plane_Wave_DFT
  plane wave basis set density functional thoery code
  ☆19Updated 2 months ago
• lab-cosmo / sparse_accumulation
  ☆12Updated last year
• valence-labs / mess
  MESS: Modern Electronic Structure Simulations
  ☆27Updated 5 months ago
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆61Updated this week
• dftlibs / xcauto
  Arbitrary order exchange-correlation functional derivatives using JAX.
  ☆22Updated 4 years ago
• WagnerGroup / pyqmc
  Python library for real space quantum Monte Carlo
  ☆88Updated this week
• jeffminlin / vmcnet
  Flexible, general-purpose VMC framework, built on JAX.
  ☆26Updated last week
• mala-project / mala
  Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
  ☆89Updated last week
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆22Updated last year
• ACEsuit / ACEpotentials.jl
  Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
  ☆55Updated last month