Gonglab-THU / SPIRED-Fitness

Related projects: ⓘ

• kad-ecoli / mmCIF2BioLiP
  BioLiP2 database curation and web interface
  ☆20Updated 8 months ago
• DeepGraphLearning / GearBind
  Pretrainable geometric graph neural network for antibody affinity maturation
  ☆19Updated last month
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆28Updated 2 weeks ago
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆21Updated 7 months ago
• leeyang / DRfold
  ☆28Updated 11 months ago
• stebliankin / piston
  Evaluating Protein Binding Interfaces with Transformer Networks
  ☆40Updated 10 months ago
• Barabasi-Lab / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆36Updated 4 months ago
• CAODH / EquiScore
  ☆55Updated 8 months ago
• ComputArtCMCG / PLANET
  ☆45Updated 9 months ago
• decodermu / GPD
  Graphormer Based Protein Sequence Design
  ☆22Updated 7 months ago
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆29Updated 6 months ago
• guaguabujianle / GIGN
  ☆35Updated last year
• CAODH / SurfDock
  SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
  ☆32Updated 9 months ago
• MatthewMasters / EDM-Dock
  ☆32Updated last year
• huhlim / alphafold-multistate
  ☆29Updated 5 months ago
• tiantz17 / PocketAnchor
  Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
  ☆27Updated last year
• Wangchentong / paper_for_denovo_protein_design
  ☆11Updated this week
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆46Updated 8 months ago
• HaotianZhangAI4Science / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆40Updated last week
• ikalvet / heme_binder_design
  ☆8Updated last year
• amelvim / antibody-diffusion-properties
  Guiding diffusion models for antibody sequence and structure co-design with developability properties.
  ☆25Updated 9 months ago
• Junjie-Zhu / IDPFold
  IDPFold test version
  ☆13Updated last week
• luost26 / RDE-PPI
  Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)
  ☆50Updated 3 months ago
• pgmikhael / clipzyme
  Reaction-Conditioned Virtual Screening of Enzymes
  ☆15Updated last month
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆11Updated 9 months ago
• liuyf020419 / ABACUS-R
  ☆11Updated this week
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆23Updated last year
• BioinfoMachineLearning / ATOMRefine
  3D equivariant graph transformer for all-atom refinement of protein tertiary structures
  ☆24Updated last year
• danny305 / StabilityOracle
  ☆17Updated 2 months ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆36Updated 7 months ago