Alternatives and similar repositories for faenet

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

• arthurkosmala / EwaldMP
  Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
  ☆50Updated 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…
  ☆63Updated 8 months ago
• Dunni3 / FlowMol
  Mixed continous/categorical flow-matching model for de novo molecule generation.
  ☆111Updated this week
• yuanqidu / LeftNet
  ☆56Updated 7 months ago
• ASK-Berkeley / OM-TPS
  [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…
  ☆12Updated 2 weeks ago
• atomicarchitects / DeNS
  [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆37Updated 5 months ago
• atomicarchitects / PriceofFreedom
  [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products
  ☆12Updated last month
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆49Updated 3 months ago
• kyonofx / MDsim
  [TMLR 2023] Training and simulating MD with ML force fields
  ☆111Updated 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…
  ☆62Updated last year
• facebookresearch / flowmm
  Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…
  ☆147Updated 8 months ago
• kyonofx / mlcgmd
  [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks
  ☆71Updated last year
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆76Updated 5 months ago
• igashov / RetroBridge
  RetroBridge: Markov Bridge Model for Retrosynthesis Planning
  ☆30Updated last year
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆59Updated 8 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆92Updated 2 years ago
• MinkaiXu / EGNO
  ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics
  ☆56Updated last year
• atomicarchitects / symphony
  [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
  ☆23Updated 4 months ago
• mouthful / ClofNet
  ☆23Updated last year
• vgsatorras / en_flows
  ☆60Updated 3 years ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆122Updated last year
• garywei944 / ChemFlow
  Uncover meaningful structures of latent spaces learned by generative models with flows!
  ☆42Updated last year
• sibasmarak / SymmCD
  ☆16Updated last month
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆113Updated last year
• shenoynikhil / ETFlow
  Source code for Equivariant Flow Matching for Molecular Conformer Generation
  ☆36Updated last month
• learningmatter-mit / GenZProt
  ☆27Updated last year
• HannesStark / FlowSite
  Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …
  ☆99Updated 11 months ago
• RobDHess / Steerable-E3-GNN
  E(3) Steerable Graph Neural Network
  ☆119Updated 2 years ago
• yuanqidu / M2Hub
  ☆46Updated 7 months ago
• cvignac / MiDi
  MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
  ☆103Updated 9 months ago