nekitmm / DLPacker

Related projects ⓘ

Alternatives and complementary repositories for DLPacker

• tommyhuangthu / FASPR
  an ultra-fast and accurate program for deterministic protein sidechain packing
  ☆28Updated last year
• huhlim / alphafold-multistate
  ☆31Updated 7 months ago
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆38Updated last year
• tiantz17 / PocketAnchor
  Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
  ☆29Updated last year
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆48Updated 10 months ago
• ikalvet / heme_binder_design
  ☆8Updated last year
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆30Updated 2 weeks ago
• GMdSilva / gms_natcomms_1705932980_data
  Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2
  ☆37Updated 6 months ago
• shuyana / DiffusionProteinLigand
  ☆77Updated 8 months ago
• kad-ecoli / mmCIF2BioLiP
  BioLiP2 database curation and web interface
  ☆22Updated 10 months ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆27Updated 7 months ago
• MatthewMasters / EDM-Dock
  ☆32Updated last year
• tiwarylab / alphafold2rave
  ☆62Updated 4 months ago
• Kortemme-Lab / match_ligand_binding_sites
  Extract ligand binding sites from PDB. Match the binding sites to de novo scaffolds.
  ☆11Updated 3 years ago
• huhlim / cg2all
  Convert coarse-grained protein structure to all-atom model
  ☆35Updated 4 months ago
• THGLab / PDBBind-Opt
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆12Updated 2 weeks ago
• Nucleus2014 / protease-gcnn-pytorch
  ☆20Updated last year
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆43Updated last year
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆29Updated 8 months ago
• ProteinDesignLab / IgVAE
  A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.
  ☆25Updated 2 years ago
• FTD007 / PInet
  ☆25Updated 2 years ago
• CAODH / SurfDock
  SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
  ☆52Updated 3 weeks ago
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆29Updated last month
• sokrypton / af2bind
  ☆42Updated 4 months ago
• docking-org / ChemInfTools
  A collection of small scripts and utilities that would otherwise float around in other repositories
  ☆13Updated 2 years ago
• SeonghwanSeo / PharmacoNet
  Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
  ☆51Updated 2 weeks ago
• feiglab / idpgan
  ☆42Updated last year
• brueckna2020 / MDFit
  Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics
  ☆18Updated 9 months ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆41Updated this week
• THGLab / LP-PDBBind
  ☆31Updated 9 months ago