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.
  ☆470Updated 4 months ago
• LPDI-EPFL / masif
  MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
  ☆702Updated last year
• octavian-ganea / equidock_public
  EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
  ☆250Updated 2 years ago
• bjing2016 / alphaflow
  AlphaFold Meets Flow Matching for Generating Protein Ensembles
  ☆492Updated 3 weeks ago
• luost26 / diffab
  ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)
  ☆349Updated 2 years ago
• zrqiao / NeuralPLexer
  NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
  ☆310Updated last month
• drorlab / gvp-pytorch
  Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆308Updated 2 years ago
• microsoft / foldingdiff
  Diffusion models of protein structure; trigonometry and attention are all you need!
  ☆556Updated last year
• igashov / DiffLinker
  DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
  ☆361Updated last year
• FreyrS / dMaSIF
  ☆228Updated 2 years ago
• RosettaCommons / RFDesign
  Protein hallucination and inpainting with RoseTTAFold
  ☆271Updated 2 years ago
• jonathanking / sidechainnet
  An all-atom protein structure dataset for machine learning.
  ☆356Updated last year
• amorehead / awesome-molecular-generation
  Awesome papers related to generative molecular modeling and design.
  ☆335Updated 3 months ago
• mattragoza / LiGAN
  Deep generative models of 3D grids for structure-based drug discovery
  ☆233Updated 2 years ago
• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆357Updated 2 years ago
• maabuu / posebusters
  Plausibility checks for generated molecule poses.
  ☆339Updated this week
• gnina / gnina
  A deep learning framework for molecular docking
  ☆793Updated last week
• a-r-j / ProteinWorkshop
  Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …
  ☆257Updated 6 months ago
• kexinhuang12345 / MolTrans
  MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
  ☆218Updated 3 years ago
• MolecularAI / GraphINVENT
  Graph neural networks for molecular design.
  ☆377Updated 2 years ago
• drorlab / atom3d
  ATOM3D: tasks on molecules in three dimensions
  ☆314Updated 2 years ago
• RosettaCommons / protein_generator
  Joint sequence and structure generation with RoseTTAFold sequence space diffusion
  ☆323Updated last year
• BenevolentAI / guacamol
  Benchmarks for generative chemistry
  ☆488Updated last year
• baker-laboratory / rf_diffusion_all_atom
  Public RFDiffusionAA repo
  ☆450Updated last year
• MolecularAI / Reinvent
  ☆363Updated 5 months ago
• Graylab / IgFold
  Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies
  ☆386Updated 2 years ago
• dengjianyuan / Survey_AI_Drug_Discovery
  ☆329Updated last year
• wallnerlab / DockQ
  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
  ☆339Updated last week
• microsoft / protein-sequence-models
  ☆254Updated last year
• IBM / molformer
  Repository for MolFormer
  ☆359Updated last month