Alternatives and similar repositories for Pocket2Drug:

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

• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆25Updated 4 months ago
• NasimAbdollahi / NodeCoder
  NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.
  ☆32Updated 9 months ago
• AspirinCode / iPPIGAN
  De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors
  ☆18Updated 3 months ago
• AspirinCode / GENiPPI
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆12Updated last month
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆32Updated last year
• oxpig / MolSnapper
  ☆23Updated 3 months ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆19Updated 4 years ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆37Updated last year
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated 2 years ago
• hesther / enzymemap
  Python package to atom map, correct and suggest enzymatic reactions
  ☆35Updated 10 months ago
• ohuelab / MEGADOCK-on-Colab
  MEGADOCK on Google Colaboratory
  ☆14Updated last year
• charlesxu90 / helm-gpt
  HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer
  ☆19Updated 7 months ago
• bbyun28 / QSAR-DrugDiscovery-with-RDkit
  ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model
  ☆13Updated 4 years ago
• feiglab / idpgan
  ☆45Updated last month
• Merck / PepSeA
  ☆24Updated 3 years ago
• cgoliver / RNAmigos
  GCN implementation for RNA-small molecule binding prediction. (https://academic.oup.com/nar/article/48/14/7690/5870337)
  ☆16Updated last year
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆39Updated last year
• samgoldman97 / enz-pred
  ☆17Updated 2 years ago
• swanss / FragFold
  ☆21Updated last month
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated 2 years ago
• 3BioCompBio / pyScoMotif
  Python tool for the discovery of similar 3D structural motifs across protein structures.
  ☆26Updated last year
• GIST-CSBL / HoTS
  HoTS: Sequence-based prediction of binding regions and drug-target interactions.
  ☆26Updated 2 years ago
• Kortemme-Lab / ddg
  A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.
  ☆17Updated 9 years ago
• rdk / p2rank-datasets
  Datasets for P2Rank project. https://github.com/rdk/p2rank
  ☆18Updated 3 months ago
• matteoferla / pyrosetta-help
  Some scripts that I keep using over and over.
  ☆18Updated last month
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated last year
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆11Updated last year
• casperg92 / MaSIF_colab
  dMaSIF implementation for google colab
  ☆30Updated last year
• skinnider / low-data-generative-models
  ☆20Updated 3 years ago
• fimrie / DEVELOP
  ☆14Updated 3 years ago