Alternatives and similar repositories for EGNO:

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

• vict0rsch / faenet
  ☆34Updated 2 months ago
• yuanqidu / LeftNet
  ☆56Updated 4 months ago
• shenoynikhil / ETFlow
  Source code for Equivariant Flow Matching for Molecular Conformer Generation
  ☆30Updated 2 weeks ago
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆61Updated 3 months ago
• lsj2408 / Gaunt-Tensor-Product
  [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…
  ☆59Updated 6 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
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆91Updated 2 years ago
• hanjq17 / GeoTDM
  [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".
  ☆26Updated 2 months ago
• AlgoMole / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆36Updated 11 months ago
• hanjq17 / EGHN
  [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".
  ☆30Updated last year
• WillHua127 / mudiff
  ☆14Updated last year
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆31Updated last year
• gracezhao1997 / EEGSDE
  This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)
  ☆46Updated last year
• Dunni3 / FlowMol
  Mixed continous/categorical flow-matching model for de novo molecule generation.
  ☆102Updated last week
• facebookresearch / flowmm
  Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…
  ☆122Updated 6 months ago
• tomer196 / GaUDI
  Guided Diffusion Model for Molecular Inverse Design
  ☆19Updated last year
• MinkaiXu / AliDiff
  NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
  ☆35Updated last month
• cvignac / MiDi
  MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
  ☆101Updated 7 months ago
• facebookresearch / all-atom-diffusion-transformer
  Official implementation of All Atom Diffusion Transformers
  ☆182Updated last week
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆56Updated 6 months ago
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆105Updated last year
• RobDHess / Steerable-E3-GNN
  E(3) Steerable Graph Neural Network
  ☆117Updated 2 years ago
• hanjq17 / GMN
  [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
  ☆60Updated 10 months ago
• mouthful / ClofNet
  ☆22Updated last year
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆118Updated 11 months ago
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆50Updated 3 months ago
• shamim-hussain / tgt
  Triplet Graph Transformer
  ☆42Updated 10 months ago
• atomistic-machine-learning / cG-SchNet
  cG-SchNet - a conditional generative neural network for 3d molecular structures
  ☆60Updated 2 years ago
• garywei944 / ChemFlow
  Uncover meaningful structures of latent spaces learned by generative models with flows!
  ☆42Updated 11 months ago
• ml-jku / vnegnn
  ☆31Updated last week