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
  ☆349Updated last month
• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆235Updated 4 months ago
• luwei0917 / DynamicBind
  repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
  ☆277Updated this week
• plinder-org / plinder
  Protein Ligand INteraction Dataset and Evaluation Resource
  ☆267Updated 3 weeks ago
• RosettaCommons / RFDesign
  Protein hallucination and inpainting with RoseTTAFold
  ☆275Updated 2 years ago
• t7morgen / misato-dataset
  ☆229Updated 2 weeks ago
• RosettaCommons / protein_generator
  Joint sequence and structure generation with RoseTTAFold sequence space diffusion
  ☆324Updated last year
• ProteinDesignLab / protpardelle
  Diffusion-based all-atom protein generative model.
  ☆228Updated 4 months ago
• ChatMol / ChatMol
  ChatMol
  ☆242Updated last month
• RosettaCommons / RFdiffusion2
  Inference code for RFdiffusion2
  ☆369Updated last month
• maabuu / posebusters
  Plausibility checks for generated molecule poses.
  ☆345Updated 2 weeks ago
• ketatam / DiffDock-PP
  Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
  ☆225Updated 2 years ago
• Kuhlman-Lab / ThermoMPNN
  GNN trained to predict changes in thermodynamic stability for protein point mutants
  ☆214Updated 4 months ago
• baker-laboratory / PLACER
  PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.
  ☆217Updated last month
• rdk / p2rank
  P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
  ☆371Updated 2 weeks ago
• ChatMol / gromacs_copilot
  Let LLM run your MDs.
  ☆238Updated 3 months ago
• patrickbryant1 / EvoBind
  In silico directed evolution of peptide binders with AlphaFold
  ☆251Updated last month
• RosettaCommons / RFantibody
  ☆404Updated last month
• 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
• octavian-ganea / equidock_public
  EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
  ☆254Updated 2 years ago
• uw-ipd / RoseTTAFold2
  ☆205Updated 8 months ago
• LPDI-EPFL / masif_seed
  Masif seed paper repository
  ☆168Updated 3 months ago
• ikalvet / heme_binder_diffusion
  ☆144Updated 5 months ago
• yehlincho / BoltzDesign1
  ☆232Updated 4 months ago
• jertubiana / ScanNet
  ☆137Updated 6 months ago
• HWaymentSteele / AF_Cluster
  Predict multiple protein conformations using sequence clustering and AlphaFold2.
  ☆168Updated 2 months ago
• FreyrS / dMaSIF
  ☆232Updated 2 years ago
• CAODH / SurfDock
  SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
  ☆224Updated 3 months ago
• Discngine / fpocket
  fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…
  ☆425Updated last year
• luost26 / diffab
  ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)
  ☆352Updated 2 years ago