Alternatives and similar repositories for relative-entropy

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

• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆79Updated this week
• tummfm / difftre
  Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
  ☆36Updated last year
• mariogeiger / nequip-jax
  ☆23Updated 2 years ago
• fabiannagel / schnax
  An implementation of SchNet in JAX and JAX-MD.
  ☆17Updated 3 years ago
• mariogeiger / allegro-jax
  ☆22Updated 6 months ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆45Updated 2 years ago
• gerkone / segnn-jax
  Steerable E(3) GNN in jax
  ☆24Updated 2 years ago
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆89Updated last week
• CompPhysVienna / MLSummerSchoolVienna2022
  ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"
  ☆39Updated 3 years ago
• ChemAI-Lab / ofdft_nflows
  Nomalizing flows for orbita-free DFT
  ☆11Updated last year
• hatemhelal / mess
  MESS: Modern Electronic Structure Simulations
  ☆42Updated last month
• wcwitt / symmetrix
  ☆26Updated last week
• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆39Updated 8 months ago
• graphcore-research / mess
  MESS: Modern Electronic Structure Simulations
  ☆20Updated last year
• atomicarchitects / nequix
  [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget.
  ☆51Updated this week
• atomicarchitects / symphony
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆28Updated 8 months ago
• lie-nn / lie-nn
  Tools for building equivariant polynomials on reductive Lie groups.
  ☆35Updated 2 years ago
• ACEsuit / ACEHAL
  ☆14Updated 2 years ago
• rubber-duck-debug / cuda-mace
  CUDA implementations of MACE models
  ☆19Updated 3 months ago
• noegroup / rigid-flows
  ☆12Updated last year
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆109Updated 7 months ago
• rotskoff-group / thermodynamic-consistency
  ☆10Updated 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…
  ☆63Updated 7 months ago
• teddykoker / e3nn.c
  Pure C implementation of e3nn
  ☆21Updated 8 months ago
• theochem / grid
  Python library for numerical integration, interpolation, and differentiation on (molecular) grids.
  ☆69Updated 4 months ago
• sirmarcel / glp
  tools for graph-based machine-learning potentials in jax
  ☆25Updated last year
• ASK-Berkeley / OM-TPS
  [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…
  ☆22Updated last week
• ACEsuit / ACEhamiltonians.jl
  ☆17Updated 2 months ago
• bytedance / netobs
  Calculate observables from neural network-based VMC (NN-VMC).
  ☆17Updated 7 months ago
• whitead / symd
  N-Dimensional MD engine with symmetry group constraints written in C
  ☆50Updated last year