Alternatives and similar repositories for neurips19-graph-protein-design

Users that are interested in neurips19-graph-protein-design are comparing it to the libraries listed below

• drorlab / gvp-pytorch
  Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆291Updated 2 years ago
• octavian-ganea / equidock_public
  EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
  ☆244Updated last year
• wengong-jin / RefineGNN
  ☆130Updated 2 years ago
• FreyrS / dMaSIF
  ☆217Updated 2 years ago
• drorlab / gvp
  Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure
  ☆148Updated 4 years ago
• luost26 / diffab
  ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)
  ☆342Updated 2 years ago
• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆332Updated last year
• Shen-Lab / DeepAffinity
  Protein-compound affinity prediction through unified RNN-CNN
  ☆147Updated last year
• DeepGraphLearning / GearNet
  GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)
  ☆299Updated 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 …
  ☆250Updated 4 months ago
• luost26 / 3D-Generative-SBDD
  💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
  ☆193Updated 2 years ago
• ketatam / DiffDock-PP
  Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
  ☆214Updated last year
• kexinhuang12345 / MolTrans
  MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
  ☆212Updated 3 years ago
• RosettaCommons / RFDesign
  Protein hallucination and inpainting with RoseTTAFold
  ☆265Updated 2 years ago
• gjoni / trDesign
  trRosetta for protein design
  ☆182Updated 4 years ago
• BytedProtein / ByProt
  ☆199Updated 11 months ago
• jertubiana / ScanNet
  ☆130Updated 2 months ago
• wengong-jin / multiobj-rationale
  Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
  ☆158Updated 2 years ago
• arneschneuing / DiffSBDD
  A Euclidean diffusion model for structure-based drug design.
  ☆445Updated 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
  ☆513Updated 6 months ago
• wengong-jin / abdockgen
  ☆106Updated 2 years ago
• IBM / controlled-peptide-generation
  source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…
  ☆105Updated 2 years ago
• ProteinDesignLab / protpardelle
  Diffusion-based all-atom protein generative model.
  ☆214Updated 6 months ago
• BioinfoMachineLearning / bio-diffusion
  A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)
  ☆213Updated 2 months ago
• drorlab / atom3d
  ATOM3D: tasks on molecules in three dimensions
  ☆311Updated 2 years ago
• igashov / DiffLinker
  DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
  ☆350Updated last year
• microsoft / protein-sequence-models
  ☆252Updated last year
• J-SNACKKB / FLIP
  A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design
  ☆104Updated 10 months ago
• guanjq / targetdiff
  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
  ☆284Updated last year
• DeepGraphLearning / ESM-GearNet
  ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)
  ☆109Updated last year