Alternatives and similar repositories for equidock_public

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

• FreyrS / dMaSIF
  ☆231Updated 2 years ago
• ketatam / DiffDock-PP
  Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
  ☆225Updated last year
• drorlab / gvp-pytorch
  Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆314Updated last month
• drorlab / gvp
  Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆158Updated 4 years ago
• jingraham / neurips19-graph-protein-design
  Generative Models for Graph-Based Protein Design
  ☆282Updated 5 years ago
• plinder-org / plinder
  Protein Ligand INteraction Dataset and Evaluation Resource
  ☆267Updated 3 weeks ago
• zrqiao / NeuralPLexer
  NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
  ☆315Updated 2 months ago
• a-r-j / ProteinWorkshop
  Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …
  ☆262Updated 8 months ago
• t7morgen / misato-dataset
  ☆229Updated 2 weeks ago
• RosettaCommons / RFDesign
  Protein hallucination and inpainting with RoseTTAFold
  ☆275Updated 2 years ago
• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆235Updated 4 months ago
• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆378Updated 2 years ago
• gjoni / trDesign
  trRosetta for protein design
  ☆183Updated 4 years ago
• luost26 / diffab
  ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)
  ☆352Updated 2 years ago
• ProteinDesignLab / protpardelle
  Diffusion-based all-atom protein generative model.
  ☆228Updated 4 months ago
• luwei0917 / DynamicBind
  repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
  ☆277Updated this week
• mattragoza / LiGAN
  Deep generative models of 3D grids for structure-based drug discovery
  ☆233Updated 2 years ago
• pinder-org / pinder
  PINDER: The Protein INteraction Dataset and Evaluation Resource
  ☆142Updated last year
• jertubiana / ScanNet
  ☆137Updated 6 months ago
• Genentech / equifold
  Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation
  ☆126Updated 2 years ago
• wengong-jin / RefineGNN
  ☆129Updated 3 years ago
• wallnerlab / DockQ
  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
  ☆349Updated last month
• maabuu / posebusters
  Plausibility checks for generated molecule poses.
  ☆345Updated 2 weeks ago
• OptiMaL-PSE-Lab / DeepDock
  Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…
  ☆186Updated 3 years ago
• HannesStark / EquiBind
  EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
  ☆530Updated 10 months ago
• BytedProtein / ByProt
  ☆209Updated last year
• luwei0917 / TankBind
  Open source code for TankBind. Galixir Tenchnologies
  ☆171Updated 2 years ago
• BioinfoMachineLearning / PoseBench
  Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)
  ☆181Updated last month
• LPDI-EPFL / masif_seed
  Masif seed paper repository
  ☆168Updated 3 months ago
• fhalab / MLDE
  A machine-learning package for navigating combinatorial protein fitness landscapes.
  ☆130Updated 4 years ago