Alternatives and similar repositories for EquiBind:

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

• arneschneuing / DiffSBDD
  A Euclidean diffusion model for structure-based drug design.
  ☆408Updated last month
• octavian-ganea / equidock_public
  EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
  ☆239Updated last year
• bjing2016 / alphaflow
  AlphaFold Meets Flow Matching for Generating Protein Ensembles
  ☆434Updated 3 months ago
• zrqiao / NeuralPLexer
  NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
  ☆288Updated 11 months ago
• drorlab / gvp-pytorch
  Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆272Updated 2 years ago
• LPDI-EPFL / masif
  MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
  ☆649Updated 9 months ago
• RosettaCommons / RFDesign
  Protein hallucination and inpainting with RoseTTAFold
  ☆256Updated 2 years ago
• luost26 / diffab
  ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)
  ☆315Updated last year
• igashov / DiffLinker
  DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
  ☆330Updated 11 months ago
• jonathanking / sidechainnet
  An all-atom protein structure dataset for machine learning.
  ☆349Updated last year
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆400Updated this week
• microsoft / foldingdiff
  Diffusion models of protein structure; trigonometry and attention are all you need!
  ☆540Updated last year
• MolecularAI / Reinvent
  ☆350Updated last year
• amorehead / awesome-molecular-generation
  Awesome papers related to generative molecular modeling and design.
  ☆324Updated 3 months ago
• RosettaCommons / protein_generator
  Joint sequence and structure generation with RoseTTAFold sequence space diffusion
  ☆310Updated 5 months ago
• MolecularAI / GraphINVENT
  Graph neural networks for molecular design.
  ☆368Updated 2 years ago
• mattragoza / LiGAN
  Deep generative models of 3D grids for structure-based drug discovery
  ☆230Updated 2 years ago
• FreyrS / dMaSIF
  ☆203Updated last year
• maabuu / posebusters
  Plausibility checks for generated molecule poses.
  ☆274Updated last week
• t7morgen / misato-dataset
  ☆201Updated 7 months ago
• baker-laboratory / rf_diffusion_all_atom
  Public RFDiffusionAA repo
  ☆388Updated 9 months ago
• MolecularAI / REINVENT4
  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
  ☆464Updated 2 weeks ago
• sokrypton / ColabDesign
  Making Protein Design accessible to all via Google Colab!
  ☆710Updated last week
• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆294Updated last year
• openmm / pdbfixer
  PDBFixer fixes problems in PDB files
  ☆534Updated last month
• jingraham / neurips19-graph-protein-design
  Generative Models for Graph-Based Protein Design
  ☆275Updated 4 years ago
• adaptyvbio / ProteinFlow
  Versatile computational pipeline for processing protein structure data for deep learning applications.
  ☆253Updated last year
• RosettaCommons / PyRosetta.notebooks
  Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
  ☆557Updated 8 months ago
• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆213Updated 8 months ago
• biolists / folding_tools
  A collection of *fold* tools
  ☆294Updated 6 months ago