Alternatives and similar repositories for EGHN

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

• GLAD-RUC / FastEGNN
  Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"
  ☆28Updated 6 months ago
• GenSI-THUAIR / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆40Updated last year
• yuanqidu / LeftNet
  ☆60Updated last year
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆98Updated 2 years ago
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆50Updated 2 years ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆47Updated 2 years ago
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆33Updated last year
• GRAPH-0 / JODO
  Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation
  ☆51Updated 2 years ago
• D4-course / EDM
  EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D
  ☆26Updated 2 years ago
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆101Updated 6 months ago
• hanjq17 / GMN
  [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
  ☆63Updated last year
• MinkaiXu / EGNO
  ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics
  ☆60Updated last year
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆130Updated last year
• gracezhao1997 / EEGSDE
  This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)
  ☆48Updated 2 years ago
• MinkaiXu / AliDiff
  NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
  ☆40Updated 8 months ago
• shenoynikhil / ETFlow
  Source code for Equivariant Flow Matching for Molecular Conformer Generation
  ☆55Updated 5 months ago
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆33Updated last year
• WillHua127 / mudiff
  ☆18Updated 2 years ago
• SeulLee05 / MOOD
  Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)
  ☆41Updated last year
• BaratiLab / GAMD
  Data and code for graph neural network accelerated molecular dynamics
  ☆42Updated 3 years ago
• shamim-hussain / tgt
  Triplet Graph Transformer
  ☆50Updated 3 months ago
• igashov / RetroBridge
  RetroBridge: Markov Bridge Model for Retrosynthesis Planning
  ☆32Updated last year
• wu-han-lin / CrysBFN
  ☆20Updated 5 months ago
• GenSI-THUAIR / GeoBFN
  Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
  ☆59Updated last year
• AzureLeon1 / awesome-molecular-diffusion-models
  A curated list of papers related to molecular diffusion models.
  ☆75Updated 6 months ago
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆44Updated 2 years ago
• mouthful / ClofNet
  ☆26Updated last year
• vict0rsch / faenet
  ☆34Updated 10 months ago
• keiradams / ChIRo
  Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"
  ☆56Updated 4 years ago
• cvignac / MiDi
  MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
  ☆109Updated last year