Alternatives and similar repositories for TAGMol

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

• zhouxiangxin1998 / DualDiff
  ☆16Updated last year
• kxz18 / UniMoMo
  Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)
  ☆75Updated 2 weeks ago
• devalab / molgpt
  ☆163Updated 2 years ago
• guanjq / targetdiff
  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
  ☆312Updated last year
• Layne-Huang / PMDM
  ☆144Updated 4 months ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆136Updated 3 months ago
• YangLing0818 / IPDiff
  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
  ☆53Updated last year
• Ced3-han / PepFlowww
  Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)
  ☆97Updated 6 months ago
• GenSI-THUAIR / MolCRAFT
  Official repository for MolCRAFT series
  ☆134Updated last month
• luost26 / 3D-Generative-SBDD
  💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
  ☆200Updated 2 years ago
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆77Updated last year
• MinkaiXu / AliDiff
  NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
  ☆40Updated 8 months ago
• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆64Updated last year
• biomed-AI / Diffleop
  ☆10Updated 10 months ago
• pengxingang / PocketXMol
  Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
  ☆99Updated 2 weeks ago
• koziarskilab / RGFN
  Code for "RGFN: Synthesizable Molecular Generation Using GFlowNets" (NeurIPS 2024)
  ☆26Updated 6 months ago
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆101Updated 10 months ago
• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆378Updated 2 years ago
• jkwang93 / Token-Mol
  Token-Mol 1.0：tokenized drug design with large language model
  ☆57Updated last week
• guaguabujianle / EHIGN_PLA
  ☆21Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆103Updated last year
• wengong-jin / DSMBind
  ☆96Updated last year
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆119Updated 3 weeks ago
• THUNLP-MT / PepGLAD
  Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
  ☆100Updated 8 months ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆35Updated last year
• OdinZhang / SurfGen
  SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
  ☆70Updated last year
• D4-course / EDM
  EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D
  ☆26Updated 2 years ago
• bytedance / DecompOpt
  ☆16Updated last year
• eyalmazuz / MolGen
  ☆25Updated 6 months ago
• DeepGraphLearning / ESM-GearNet
  ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)
  ☆111Updated 2 years ago