Alternatives and similar repositories for GearNet:

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

• drorlab / gvp-pytorch
  Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆259Updated 2 years ago
• a-r-j / ProteinWorkshop
  Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …
  ☆220Updated 9 months ago
• luost26 / diffab
  ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)
  ☆303Updated last year
• arneschneuing / DiffSBDD
  A Euclidean diffusion model for structure-based drug design.
  ☆391Updated 3 weeks ago
• BytedProtein / ByProt
  ☆171Updated 4 months ago
• DeepGraphLearning / ESM-GearNet
  ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)
  ☆85Updated last year
• BioinfoMachineLearning / bio-diffusion
  A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization (Nature CommsChem)
  ☆188Updated 5 months ago
• wengong-jin / RefineGNN
  ☆126Updated 2 years ago
• jingraham / neurips19-graph-protein-design
  Generative Models for Graph-Based Protein Design
  ☆268Updated 4 years ago
• igashov / DiffLinker
  DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
  ☆318Updated 9 months ago
• amorehead / awesome-molecular-generation
  Awesome papers related to generative molecular modeling and design.
  ☆319Updated last month
• octavian-ganea / equidock_public
  EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
  ☆236Updated last year
• OATML-Markslab / ProteinGym
  Official repository for the ProteinGym benchmarks
  ☆269Updated 3 months ago
• ketatam / DiffDock-PP
  Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
  ☆197Updated last year
• guanjq / targetdiff
  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
  ☆233Updated last year
• FreyrS / dMaSIF
  ☆198Updated last year
• yuyangw / MolCLR
  Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
  ☆262Updated last year
• lucidrains / chroma-pytorch
  Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch
  ☆159Updated 2 years ago
• zrqiao / NeuralPLexer
  NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
  ☆278Updated 9 months ago
• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆208Updated 6 months ago
• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆279Updated last year
• BorgwardtLab / proteinshake
  Protein structure datasets for machine learning.
  ☆105Updated 7 months ago
• dauparas / LigandMPNN
  ☆272Updated last week
• RosettaCommons / protein_generator
  Joint sequence and structure generation with RoseTTAFold sequence space diffusion
  ☆301Updated 3 months ago
• luwei0917 / DynamicBind
  repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
  ☆223Updated 9 months ago
• LPDI-EPFL / masif_seed
  Masif seed paper repository
  ☆143Updated last year
• microsoft / protein-sequence-models
  ☆236Updated 6 months ago
• DeepGraphLearning / ProtST
  [ICML-23 ORAL] ProtST: Multi-Modality Learning of Protein Sequences and Biomedical Texts
  ☆92Updated last year
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆213Updated 2 years ago
• bjing2016 / EigenFold
  EigenFold: Generative Protein Structure Prediction with Diffusion Models
  ☆169Updated last year