Alternatives and similar repositories for Mol-StrucTok

Users that are interested in Mol-StrucTok are comparing it to the libraries listed below

• chao1224 / NeuralMD
  NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z
  ☆35Updated 2 months ago
• jiaxianyan / DeltaDock
  ☆27Updated last year
• Genentech / voxmol
  ☆21Updated last year
• zaixizhang / FAIR
  NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement
  ☆47Updated 2 years ago
• juanniwu / t-SMILES
  ☆39Updated 9 months ago
• jiaxianyan / BioMiner
  A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature
  ☆68Updated 3 weeks ago
• c-tl / GeoMFormer
  ☆17Updated last year
• HXYfighter / 3DMolFormer
  ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery
  ☆27Updated 9 months ago
• GenSI-THUAIR / MolCRAFT
  Official repository for MolCRAFT series
  ☆138Updated 3 months ago
• smiles724 / ProtMD
  ☆65Updated 7 months ago
• SigmaGenX / TamGen
  ☆40Updated 7 months ago
• schwallergroup / steer
  ☆42Updated 2 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆71Updated last year
• lujiarui / esmdiff
  Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)
  ☆74Updated 11 months ago
• bytedance / DecompOpt
  ☆16Updated last year
• CataAI / PoseX
  PoseX: A Molecular Docking Benchmark
  ☆63Updated 6 months ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆58Updated last week
• hongliangduan / HighFold2
  ☆19Updated 10 months ago
• peizhenbai / MapDiff
  Implementation of MapDiff: "Mask-prior-guided denoising diffusion improves inverse protein folding" in PyTorch
  ☆43Updated 6 months ago
• compsciencelab / mdCATH
  This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…
  ☆54Updated last month
• jkwang93 / Token-Mol
  Token-Mol 1.0：tokenized drug design with large language model
  ☆61Updated last month
• tsa87 / tacogfn
  [TMLR 24'] TacoGFN: Target Conditioned GFlowNet for Structure-based Drug Design
  ☆15Updated 6 months ago
• YangLing0818 / IRDiff
  [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation
  ☆35Updated last year
• rxn4chemistry / multimodal-spectroscopic-dataset
  Code for generation and benchmarks of the Multimodal Spectroscopic Dataset
  ☆52Updated 7 months ago
• AzureLeon1 / MolSpectra
  [ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"
  ☆19Updated 9 months ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆32Updated last year
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆39Updated 6 months ago
• WangZiXubiubiu / SketchMol-v1
  Official implementation of SketchMol.
  ☆31Updated 11 months ago
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated 2 years ago
• guanjq / LinkerNet
  The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)
  ☆16Updated last year