Alternatives and similar repositories for NeuralPLexer

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

• wallnerlab / DockQ
  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
  ☆339Updated last week
• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆234Updated 3 months ago
• luwei0917 / DynamicBind
  repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
  ☆270Updated last year
• plinder-org / plinder
  Protein Ligand INteraction Dataset and Evaluation Resource
  ☆257Updated 5 months ago
• RosettaCommons / RFDesign
  Protein hallucination and inpainting with RoseTTAFold
  ☆271Updated 2 years ago
• ProteinDesignLab / protpardelle
  Diffusion-based all-atom protein generative model.
  ☆225Updated 2 months ago
• RosettaCommons / RFdiffusion2
  Inference code for RFdiffusion2
  ☆326Updated last week
• rdk / p2rank
  P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
  ☆360Updated last month
• ChatMol / ChatMol
  ChatMol
  ☆237Updated 8 months ago
• maabuu / posebusters
  Plausibility checks for generated molecule poses.
  ☆339Updated this week
• t7morgen / misato-dataset
  ☆222Updated last year
• baker-laboratory / PLACER
  PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.
  ☆197Updated 2 weeks ago
• Kuhlman-Lab / ThermoMPNN
  GNN trained to predict changes in thermodynamic stability for protein point mutants
  ☆206Updated 3 months ago
• RosettaCommons / protein_generator
  Joint sequence and structure generation with RoseTTAFold sequence space diffusion
  ☆323Updated last year
• ChatMol / gromacs_copilot
  Let LLM run your MDs.
  ☆236Updated 2 months ago
• RosettaCommons / RFantibody
  ☆366Updated 2 weeks ago
• ketatam / DiffDock-PP
  Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
  ☆223Updated last year
• zaixizhang / PocketGen
  PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets
  ☆202Updated 7 months ago
• octavian-ganea / equidock_public
  EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
  ☆250Updated 2 years ago
• patrickbryant1 / EvoBind
  In silico directed evolution of peptide binders with AlphaFold
  ☆245Updated 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
• pinder-org / pinder
  PINDER: The Protein INteraction Dataset and Evaluation Resource
  ☆140Updated last year
• Discngine / fpocket
  fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…
  ☆401Updated last year
• dauparas / LigandMPNN
  ☆478Updated 9 months ago
• haddocking / haddock3
  Official repo of the modular BioExcel version of HADDOCK
  ☆203Updated this week
• baker-laboratory / rf_diffusion_all_atom
  Public RFDiffusionAA repo
  ☆449Updated last year
• LPDI-EPFL / masif_seed
  Masif seed paper repository
  ☆164Updated last month
• dptech-corp / Uni-Dock
  Uni-Dock: a GPU-accelerated molecular docking program
  ☆258Updated 3 weeks ago
• CAODH / SurfDock
  SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
  ☆219Updated last month
• HWaymentSteele / AF_Cluster
  Predict multiple protein conformations using sequence clustering and AlphaFold2.
  ☆166Updated last month