Alternatives and similar repositories for DiffLinker:

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

• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆289Updated last year
• drorlab / gvp-pytorch
  Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆264Updated 2 years ago
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆216Updated 2 years ago
• arneschneuing / DiffSBDD
  A Euclidean diffusion model for structure-based drug design.
  ☆399Updated 3 weeks ago
• luost26 / 3D-Generative-SBDD
  💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
  ☆187Updated 2 years ago
• gcorso / torsional-diffusion
  Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
  ☆259Updated last year
• amorehead / awesome-molecular-generation
  Awesome papers related to generative molecular modeling and design.
  ☆319Updated 3 months ago
• guanjq / targetdiff
  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
  ☆242Updated last year
• MinkaiXu / GeoDiff
  Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
  ☆351Updated last year
• BioinfoMachineLearning / bio-diffusion
  A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization (Nature CommsChem)
  ☆193Updated 6 months ago
• ketatam / DiffDock-PP
  Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
  ☆199Updated last year
• bjing2016 / EigenFold
  EigenFold: Generative Protein Structure Prediction with Diffusion Models
  ☆172Updated last year
• bjing2016 / alphaflow
  AlphaFold Meets Flow Matching for Generating Protein Ensembles
  ☆422Updated 2 months ago
• luost26 / diffab
  ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)
  ☆311Updated last year
• microsoft / protein-frame-flow
  Fast protein backbone generation with SE(3) flow matching.
  ☆248Updated 8 months ago
• maabuu / posebusters
  Plausibility checks for generated molecule poses.
  ☆264Updated this week
• mattragoza / LiGAN
  Deep generative models of 3D grids for structure-based drug discovery
  ☆229Updated 2 years ago
• octavian-ganea / equidock_public
  EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
  ☆237Updated last year
• luwei0917 / DynamicBind
  repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
  ☆227Updated 10 months ago
• gnina / models
  Trained caffe models
  ☆86Updated last year
• DeepGraphLearning / ConfGF
  Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
  ☆165Updated 3 years ago
• FreyrS / dMaSIF
  ☆198Updated last year
• HannesStark / FlowSite
  Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …
  ☆94Updated 7 months ago
• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆211Updated 7 months ago
• zrqiao / NeuralPLexer
  NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
  ☆280Updated 10 months ago
• t7morgen / misato-dataset
  ☆199Updated 6 months ago
• MolecularAI / Chemformer
  ☆229Updated 6 months ago
• DreamFold / FoldFlow
  FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation
  ☆210Updated 3 months ago
• PattanaikL / GeoMol
  ☆156Updated last year
• aqlaboratory / genie
  De Novo Protein Design by Equivariantly Diffusing Oriented Residue Clouds
  ☆177Updated 10 months ago