Alternatives and similar repositories for equidock_public

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

• FreyrS / dMaSIF
  ☆207Updated last year
• ketatam / DiffDock-PP
  Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
  ☆205Updated last year
• drorlab / gvp
  Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆144Updated 4 years ago
• drorlab / gvp-pytorch
  Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆278Updated 2 years ago
• RosettaCommons / RFDesign
  Protein hallucination and inpainting with RoseTTAFold
  ☆258Updated 2 years ago
• luwei0917 / DynamicBind
  repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
  ☆239Updated last year
• gjoni / trDesign
  trRosetta for protein design
  ☆179Updated 4 years ago
• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆214Updated 9 months ago
• wengong-jin / RefineGNN
  ☆130Updated 2 years ago
• jertubiana / ScanNet
  ☆125Updated last year
• zrqiao / NeuralPLexer
  NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
  ☆290Updated last year
• ProteinDesignLab / protpardelle
  Diffusion-based all-atom protein generative model.
  ☆195Updated 2 months ago
• RosettaCommons / protein_generator
  Joint sequence and structure generation with RoseTTAFold sequence space diffusion
  ☆311Updated 6 months ago
• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆302Updated last year
• maabuu / posebusters
  Plausibility checks for generated molecule poses.
  ☆278Updated last week
• plinder-org / plinder
  Protein Ligand INteraction Dataset and Evaluation Resource
  ☆219Updated last month
• pinder-org / pinder
  PINDER: The Protein INteraction Dataset and Evaluation Resource
  ☆118Updated 6 months ago
• jingraham / neurips19-graph-protein-design
  Generative Models for Graph-Based Protein Design
  ☆276Updated 4 years ago
• luost26 / diffab
  ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)
  ☆318Updated last year
• bjornwallner / DockQ
  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
  ☆277Updated 3 months ago
• LBM-EPFL / PeSTo
  Geometric deep learning method to predict protein binding interfaces from a protein structure.
  ☆133Updated last year
• BioinfoMachineLearning / PoseBench
  Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)
  ☆151Updated last month
• rdk / p2rank
  P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
  ☆319Updated last month
• t7morgen / misato-dataset
  ☆200Updated 8 months ago
• Genentech / equifold
  Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation
  ☆121Updated 2 years ago
• pcko1 / Deep-Drug-Coder
  A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…
  ☆189Updated 2 years ago
• zaixizhang / PocketGen
  PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets
  ☆178Updated last month
• a-r-j / ProteinWorkshop
  Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …
  ☆236Updated 2 weeks ago
• arneschneuing / DiffSBDD
  A Euclidean diffusion model for structure-based drug design.
  ☆415Updated 2 months ago
• HannesStark / EquiBind
  EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
  ☆506Updated 2 months ago