Alternatives and similar repositories for relative-entropy

Users that are interested in relative-entropy are comparing it to the libraries listed below

• gerkone / segnn-jax
  Steerable E(3) GNN in jax
  ☆24Updated last year
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆73Updated 2 months ago
• sail-sg / d4ft
  A JAX library for Density Functional Theory.
  ☆54Updated 3 weeks ago
• hatemhelal / mess
  MESS: Modern Electronic Structure Simulations
  ☆32Updated this week
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆109Updated 3 months ago
• fabiannagel / schnax
  An implementation of SchNet in JAX and JAX-MD.
  ☆17Updated 3 years ago
• ChemAI-Lab / ofdft_nflows
  Nomalizing flows for orbita-free DFT
  ☆10Updated 9 months ago
• noegroup / rigid-flows
  ☆11Updated last year
• sail-sg / jrystal
  A JAX-based Differentiable Density Functional Theory Framework for Materials
  ☆27Updated this week
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆40Updated 2 years ago
• CompPhysVienna / MLSummerSchoolVienna2022
  ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"
  ☆39Updated 2 years ago
• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆36Updated 4 months ago
• mariogeiger / allegro-jax
  ☆22Updated 2 months ago
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆77Updated last week
• maxxxzdn / jax-geometric
  Implementation of various equivariant models in JAX
  ☆12Updated last year
• n-gao / pesnet
  Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…
  ☆30Updated last year
• atomicarchitects / symphony
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆23Updated 4 months ago
• lie-nn / lie-nn
  Tools for building equivariant polynomials on reductive Lie groups.
  ☆34Updated 2 years ago
• ACEsuit / ACEHAL
  ☆12Updated last year
• blondegeek / e3nn_symm_breaking
  Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"
  ☆14Updated 4 years ago
• ACEsuit / ACEhamiltonians.jl
  ☆16Updated 7 months 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…
  ☆57Updated 2 months ago
• tomdbar / naqs-for-quantum-chemistry
  Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".
  ☆40Updated 3 years ago
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated 9 months ago
• mariogeiger / nequip-jax
  ☆23Updated last year
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆36Updated last month
• rotskoff-group / thermodynamic-consistency
  ☆8Updated 2 years ago
• jeffminlin / vmcnet
  Flexible, general-purpose VMC framework, built on JAX.
  ☆26Updated 2 months ago
• ACEsuit / ACEpotentials.jl
  Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
  ☆57Updated 2 months ago
• wcwitt / symmetrix
  ☆18Updated last month