Alternatives and similar repositories for bgflow

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

• vgsatorras / en_flows
  ☆60Updated 3 years ago
• noegroup / paper_boltzmann_generators
  ☆92Updated 4 years ago
• e3nn / e3nn-jax
  jax library for E3 Equivariant Neural Networks
  ☆223Updated 5 months ago
• senya-ashukha / simple-equivariant-gnn
  A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
  ☆139Updated 4 years ago
• RobDHess / Steerable-E3-GNN
  E(3) Steerable Graph Neural Network
  ☆126Updated 2 years ago
• gcorso / torsional-diffusion
  Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
  ☆279Updated last year
• leojklarner / gauche
  A Library for Gaussian Processes in Chemistry
  ☆249Updated last year
• LarsHoldijk / SOCTransitionPaths
  ☆34Updated 3 years ago
• openmm / spice-dataset
  A collection of QM data for training potential functions
  ☆189Updated 11 months ago
• Dunni3 / FlowMol
  Mixed continous/categorical flow-matching model for de novo molecule generation.
  ☆176Updated last month
• 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…
  ☆67Updated last year
• microsoft / timewarp
  Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.
  ☆59Updated last year
• kyonofx / MDsim
  [TMLR 2023] Training and simulating MD with ML force fields
  ☆115Updated last year
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆110Updated 9 months ago
• torchmd / mdgrad
  Pytorch differentiable molecular dynamics
  ☆184Updated 3 years ago
• blondegeek / e3nn_tutorial
  repository and website for tutorials on 3d Euclidean equivariant neural networks
  ☆77Updated 4 years ago
• risilab / cormorant
  Codebase for Cormorant Neural Networks
  ☆60Updated 3 years ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆54Updated 10 months ago
• sarpaykent / GotenNet
  [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks
  ☆60Updated 3 months ago
• atomicarchitects / equiformer
  [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
  ☆268Updated 11 months ago
• thorben-frank / mlff
  Build neural networks for machine learning force fields with JAX
  ☆132Updated 7 months ago
• lollcat / se3-augmented-coupling-flows
  SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.
  ☆24Updated last year
• smsharma / eqnn-jax
  Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
  ☆40Updated 11 months ago
• torchmd / torchmd-net
  Training neural network potentials
  ☆463Updated this week
• facebookresearch / flowmm
  Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…
  ☆174Updated last year
• atomistic-machine-learning / G-SchNet
  G-SchNet - a generative model for 3d molecular structures
  ☆145Updated 2 years ago
• jarridrb / DEM
  Code for the paper Iterated Denoising Energy Matching for Sampling from Boltzmann Densities.
  ☆68Updated 9 months ago
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆119Updated last year
• NVIDIA / cuEquivariance
  cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…
  ☆352Updated this week
• DreamFold / FoldFlow
  FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation
  ☆273Updated last year