Alternatives and similar repositories for DeepCoSI:

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

• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆24Updated this week
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆11Updated 5 years ago
• JingHuangLab / EViS
  EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity
  ☆13Updated 3 years ago
• rareylab / InteractionDrawer
  InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
  ☆20Updated last year
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• zjujdj / MetalProGNet
  ☆12Updated 8 months ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆13Updated 11 months ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆19Updated 4 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆24Updated 2 years ago
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated 2 years ago
• 5AGE-zhang / TocoDecoy
  ☆12Updated 2 years ago
• SongXia-NYU / DiffDock-NMDN
  ☆11Updated 5 months ago
• oxpig / MolSnapper
  ☆23Updated 4 months ago
• hnlab / BindingNet
  ☆23Updated 8 months ago
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆11Updated 10 months ago
• f-rianjongdee / bbSelect
  ☆12Updated 10 months ago
• molML / traversing_chem_space
  ☆22Updated 7 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆19Updated 2 years ago
• keisuke-yanagisawa / exprorer_msmd
  MSMD (mixed-solvent molecular dynamics) engine and analysis tools
  ☆18Updated 2 weeks ago
• oxpig / fragment-ranking
  A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …
  ☆9Updated 2 years ago
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆17Updated 4 months ago
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆19Updated last month
• ci-lab-cz / crem-dock
  CReM-dock: generation of chemically reasonable molecules guided by molecular docking
  ☆23Updated 2 months ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 3 years ago
• FatimaNoor74 / VirtuDockDL
  ☆15Updated 5 months ago
• durrantlab / subpex
  SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…
  ☆15Updated 10 months ago
• MolFilterGAN / MolFilterGAN
  ☆14Updated last year
• fimrie / DEVELOP
  ☆14Updated 3 years ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆25Updated 5 months ago