Alternatives and similar repositories for Pocket2Drug

Users that are interested in Pocket2Drug are comparing it to the libraries listed below

• 595693085 / ProteinDescriptor
  a protein descriptor for site prediction
  ☆16Updated 6 years ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆20Updated 4 years ago
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆24Updated 5 months ago
• cgoliver / RNAmigos
  GCN implementation for RNA-small molecule binding prediction. (https://academic.oup.com/nar/article/48/14/7690/5870337)
  ☆16Updated last year
• ohuelab / MEGADOCK-on-Colab
  MEGADOCK on Google Colaboratory
  ☆17Updated last year
• i-Molecule / bitenet
  Spatiotemporal identification of druggable binding sites using deep learning
  ☆22Updated 4 years ago
• AspirinCode / iPPIGAN
  De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors
  ☆20Updated 10 months ago
• Laboratoire-de-Chemoinformatique / hyfactor
  Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
  ☆18Updated 2 years ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 3 months ago
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆44Updated 2 years ago
• michal-brylinski / efindsite
  Ligand binding site prediction and virtual screening
  ☆12Updated 6 years ago
• LBLQMM / MACAW
  ☆14Updated 3 years ago
• Jonas-Verhellen / MolecularGraphPareto
  ☆16Updated last year
• fimrie / DEVELOP
  ☆14Updated 3 years ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆34Updated last year
• agrybauskas / rotag
  A collection of tools that generate and analyse side-chain rotamer libraries
  ☆10Updated this week
• NasimAbdollahi / NodeCoder
  NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.
  ☆33Updated last year
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 2 years ago
• Shen-Lab / gcWGAN
  Guided Conditional Wasserstein GAN for De Novo Protein Design
  ☆37Updated 4 years ago
• rdk / p2rank-datasets
  Datasets for P2Rank project. https://github.com/rdk/p2rank
  ☆24Updated 10 months ago
• GIST-CSBL / HoTS
  HoTS: Sequence-based prediction of binding regions and drug-target interactions.
  ☆27Updated 2 years ago
• Merck / PepSeA
  ☆26Updated 3 years ago
• skinnider / low-data-generative-models
  ☆20Updated 4 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆17Updated 3 months ago
• iwatobipen / vs_vina
  ☆13Updated 4 years ago
• jscant / PointVS
  SE(3)-equivariant point cloud networks for virtual screening
  ☆21Updated 2 years ago
• ELELAB / pyinteraph2
  development repository for PyInteraph2
  ☆23Updated 5 months ago
• tugceoruc / epocs
  ESM-driven Pocket Cross Similarity
  ☆13Updated last month
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆29Updated last year
• alirezaomidi / AFM-IDR
  Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"
  ☆16Updated 9 months ago