Alternatives and similar repositories for rigid-flows

Users that are interested in rigid-flows are comparing it to the libraries listed below

• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆33Updated 2 months ago
• lollcat / se3-augmented-coupling-flows
  SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.
  ☆24Updated last year
• ASK-Berkeley / StABlE-Training
  [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators
  ☆13Updated 2 months ago
• microsoft / two-for-one-diffusion
  This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…
  ☆60Updated 11 months ago
• sibasmarak / SymmCD
  ☆15Updated 3 months ago
• noegroup / bgmol
  Molecular mechanics systems and simulation data
  ☆16Updated 11 months ago
• LarsHoldijk / SOCTransitionPaths
  ☆28Updated 2 years ago
• prescient-design / e3tools
  Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0
  ☆12Updated last month
• wwang2 / Coarse-Graining-Auto-encoders
  ☆40Updated 3 years ago
• atomicarchitects / symphony
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆21Updated 2 months ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆49Updated last month
• arthurkosmala / EwaldMP
  Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
  ☆47Updated last year
• gerkone / segnn-jax
  Steerable E(3) GNN in jax
  ☆24Updated last year
• atomicarchitects / DeNS
  [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆33Updated 3 months ago
• thorben-frank / euclidean_fast_attention
  Implementation of the Euclidean fast attention (EFA) algorithm
  ☆50Updated 3 months ago
• microsoft / timewarp
  Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.
  ☆52Updated 8 months ago
• tummfm / relative-entropy
  Deep Coarse-grained Potentials via Relative Entropy Minimization
  ☆14Updated 2 years ago
• lie-nn / lie-nn
  Tools for building equivariant polynomials on reductive Lie groups.
  ☆32Updated 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 11 months ago
• blondegeek / e3nn_symm_breaking
  Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"
  ☆14Updated 4 years ago
• ACEsuit / mace-jax
  Equivariant machine learning interatomic potentials in JAX.
  ☆72Updated 3 weeks ago
• valence-labs / mess
  MESS: Modern Electronic Structure Simulations
  ☆30Updated last month
• lsj2408 / Gaunt-Tensor-Product
  [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…
  ☆61Updated 6 months ago
• ibayashi-hikaru / allegro-legato
  Robust NN MD simulator
  ☆20Updated last year
• TUM-DAML / gemnet_tf
  GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆26Updated 2 years ago
• vict0rsch / faenet
  ☆34Updated 3 months ago
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆37Updated last year
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆36Updated 2 years ago
• wehs7661 / boltzmann_generators
  A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Bou…
  ☆21Updated 2 years ago
• Fung-Lab / StructRepGen
  Atomic Structure Generation from Reconstructing Structural Fingerprints
  ☆15Updated 2 years ago