Alternatives and similar repositories for bgflow

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

• vgsatorras / en_flows
  ☆59Updated 3 years ago
• noegroup / paper_boltzmann_generators
  ☆90Updated 4 years ago
• leojklarner / gauche
  A Library for Gaussian Processes in Chemistry
  ☆246Updated last year
• senya-ashukha / simple-equivariant-gnn
  A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
  ☆139Updated 3 years ago
• gcorso / torsional-diffusion
  Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
  ☆276Updated last year
• RobDHess / Steerable-E3-GNN
  E(3) Steerable Graph Neural Network
  ☆125Updated 2 years ago
• kyonofx / MDsim
  [TMLR 2023] Training and simulating MD with ML force fields
  ☆115Updated last year
• e3nn / e3nn-jax
  jax library for E3 Equivariant Neural Networks
  ☆220Updated 3 months ago
• risilab / cormorant
  Codebase for Cormorant Neural Networks
  ☆60Updated 3 years ago
• openmm / spice-dataset
  A collection of QM data for training potential functions
  ☆186Updated 9 months ago
• microsoft / timewarp
  Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.
  ☆56Updated last year
• blondegeek / e3nn_tutorial
  repository and website for tutorials on 3d Euclidean equivariant neural networks
  ☆75Updated 4 years ago
• LarsHoldijk / SOCTransitionPaths
  ☆34Updated 3 years ago
• Dunni3 / FlowMol
  Mixed continous/categorical flow-matching model for de novo molecule generation.
  ☆170Updated 3 months ago
• thorben-frank / mlff
  Build neural networks for machine learning force fields with JAX
  ☆127Updated 6 months ago
• google-research / e3x
  E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.
  ☆109Updated 8 months ago
• torchmd / mdgrad
  Pytorch differentiable molecular dynamics
  ☆181Updated 3 years ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆54Updated 8 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…
  ☆66Updated last year
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆236Updated 3 years ago
• atomicarchitects / equiformer
  [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
  ☆264Updated 9 months ago
• atomistic-machine-learning / G-SchNet
  G-SchNet - a generative model for 3d molecular structures
  ☆144Updated 2 years ago
• lsj2408 / Gaunt-Tensor-Product
  [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…
  ☆68Updated last year
• kyonofx / mlcgmd
  [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks
  ☆72Updated 2 years ago
• sarpaykent / GotenNet
  [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks
  ☆59Updated last month
• TUM-DAML / gemnet_pytorch
  GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
  ☆213Updated 2 years ago
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆119Updated last year
• wwang2 / Coarse-Graining-Auto-encoders
  ☆40Updated 3 years ago
• arthurkosmala / EwaldMP
  Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
  ☆51Updated 2 years ago
• torchmd / torchmd-net
  Training neural network potentials
  ☆452Updated last week