Alternatives and similar repositories for ad-kernels:

Users that are interested in ad-kernels are comparing it to the libraries listed below

• sirmarcel / glp
  tools for graph-based machine-learning potentials in jax
  ☆19Updated 11 months ago
• ACEsuit / EquivariantModels.jl
  Tools for geometric learning
  ☆11Updated 6 months ago
• fabiannagel / schnax
  An implementation of SchNet in JAX and JAX-MD.
  ☆17Updated 2 years ago
• ACEsuit / ACE1.jl
  Atomic Cluster Expansion for Modelling Invariant Atomic Properties
  ☆22Updated 6 months ago
• mfherbst / julia-for-materials
  Material of the seminar "Julia for Materials Modelling"
  ☆30Updated last year
• ACEsuit / ACEhamiltonians.jl
  ☆15Updated 3 months ago
• ACEsuit / ACE.jl
  Parameterisation of Equivariant Properties of Particle Systems
  ☆65Updated 2 months ago
• jeffminlin / vmcnet
  Flexible, general-purpose VMC framework, built on JAX.
  ☆26Updated this week
• ACEsuit / ACEHAL
  ☆12Updated last year
• ACEsuit / ACEpotentials.jl
  Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
  ☆55Updated last month
• apax-hub / apax
  A flexible and performant framework for training machine learning potentials.
  ☆19Updated this week
• mfherbst / juliacon_dft_workshop
  A mathematical look on density-functional theory and DFTK
  ☆34Updated 3 years ago
• nickjbrowning / cuda_mace
  CUDA implementations of MACE models
  ☆13Updated last month
• y1xiaoc / fwdlap
  Forward mode laplacian implemented in JAX tracer
  ☆29Updated last week
• Chemellia / ChemistryFeaturization.jl
  Interface package for featurizing atomic structures
  ☆42Updated last year
• aspuru-guzik-group / DiffiQult
  A fully autodifferentiable and variational HF
  ☆41Updated 4 years ago
• CCQC / Quax
  Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
  ☆63Updated 6 months ago
• alexriss / ChemfilesViewer.jl
  Julia library to visualize molecules and other chemical structures
  ☆20Updated 2 months ago
• libAtoms / ExtXYZ.jl
  Extended XYZ read/write support for Julia
  ☆15Updated 3 months ago
• mariogeiger / nequip-jax
  ☆22Updated last year
• coudertlab / CrystalNets.jl
  A julia package for the manipulation of crystal net representations and topology
  ☆42Updated this week
• mfherbst / AtomsIO.jl
  Standard input/output package for AtomsBase-compatible structures
  ☆20Updated 3 months ago
• NQCD / NQCDynamics.jl
  Fast and flexible nonadiabatic molecular dynamics in Julia!
  ☆61Updated this week
• fermiflow / hydrogen
  variational free-energy of dense hydrogen
  ☆12Updated last year
• JuliaMolSim / ASE.jl
  Julia Bindings for Atomic Simulation Environment
  ☆37Updated 4 years ago
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆59Updated last week
• valence-labs / mess
  MESS: Modern Electronic Structure Simulations
  ☆27Updated 5 months ago
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆71Updated last year
• bytedance / netobs
  Calculate observables from neural network-based VMC (NN-VMC).
  ☆12Updated last week
• mariogeiger / allegro-jax
  ☆21Updated 11 months ago