Alternatives and similar repositories for 3MDiffusion

Users that are interested in 3MDiffusion are comparing it to the libraries listed below

• YangLing0818 / IRDiff
  [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation
  ☆34Updated last year
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆77Updated last year
• DongkiKim95 / Mol-LLaMA
  Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"
  ☆28Updated 2 months ago
• bytedance / DecompDiff
  The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)
  ☆69Updated 2 years ago
• tencent-ailab / MDM
  MDM
  ☆56Updated last year
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆99Updated 6 months ago
• AzureLeon1 / MolSpectra
  [ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"
  ☆16Updated 8 months ago
• GenSI-THUAIR / GeoBFN
  Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
  ☆59Updated last year
• Deno-V / tgm-dlm
  Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model
  ☆21Updated 5 months ago
• bytedance / DecompOpt
  ☆16Updated last year
• MinkaiXu / AliDiff
  NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
  ☆40Updated 8 months ago
• Genentech / voxmol
  ☆20Updated last year
• GenSI-THUAIR / MolCRAFT
  Official repository for MolCRAFT series
  ☆134Updated last month
• YangLing0818 / IPDiff
  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
  ☆53Updated last year
• KyGao / Mol-StrucTok
  Serializing molecule 3D structures
  ☆14Updated last year
• GRAPH-0 / JODO
  Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation
  ☆51Updated 2 years ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆136Updated 3 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆98Updated 2 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆70Updated last year
• liugangcode / Llamole
  Llamole: Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning
  ☆37Updated last year
• jkwang93 / Token-Mol
  Token-Mol 1.0：tokenized drug design with large language model
  ☆57Updated last week
• jinhojsk515 / SPMM
  [Nat. Comm. 2024] Multimodal learning for chemical domain, with SMILES and properties.
  ☆41Updated 11 months ago
• c-tl / GeoMFormer
  ☆17Updated last year
• THUNLP-MT / PepGLAD
  Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
  ☆100Updated 8 months ago
• Rich-XGK / GTMGC
  Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).
  ☆19Updated last year
• SeulLee05 / MOOD
  Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)
  ☆41Updated last year
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆56Updated this week
• HannesStark / FlowSite
  Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …
  ☆103Updated last year
• jfjoung / mechanism_prediction
  ☆32Updated last year
• 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