Alternatives and similar repositories for pyinteraph2

Users that are interested in pyinteraph2 are comparing it to the libraries listed below

• kamerlinlab / KIN
  Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…
  ☆18Updated last year
• genki-kudo / Pocket-to-Concavity
  Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres
  ☆16Updated 10 months ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆34Updated 5 months ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 3 months ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆34Updated last year
• haddocking / arctic3d
  Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
  ☆30Updated 3 weeks ago
• concept-lab / SiteFerret
  Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest
  ☆12Updated 2 years ago
• jaaamessszzz / BindingSitesFromFragments
  De novo design of small molecule binding sites into proteins
  ☆12Updated 4 years ago
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆36Updated 2 months ago
• harry-maan / gmx_qk
  ☆21Updated 8 months ago
• MiaoLab20 / pyreweighting
  ☆28Updated last year
• ParImmune / SINAPs
  ☆18Updated 3 years ago
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆44Updated 2 years ago
• Gervasiolab / Gervasio-Protein-Dynamics
  A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery
  ☆13Updated 5 months ago
• keisuke-yanagisawa / exprorer_msmd
  MSMD (mixed-solvent molecular dynamics) engine and analysis tools
  ☆19Updated 4 months ago
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆60Updated 3 months ago
• BioComputingUP / ring-pymol
  This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua
  ☆27Updated 6 months ago
• CSB-KaracaLab / prot-on
  This repo contains the collection of codes to find designer interfacial mutations
  ☆17Updated last year
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆69Updated this week
• ld139 / ApoDock_public
  Code for ApoDock
  ☆20Updated 4 months ago
• oxpig / MolSnapper
  ☆50Updated 3 months ago
• MolecularAI / Icolos
  Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
  ☆55Updated 2 years ago
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆30Updated 2 months ago
• tiwarylab / GrASP
  Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
  ☆53Updated 2 months ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆52Updated 2 months ago
• LBC-LNBio / pyKVFinder
  pyKVFinder: Python-C parallel KVFinder
  ☆26Updated 2 weeks ago
• delemottelab / allosteric-pathways
  Building and analyzing residue interaction networks with cofactors (includes tutorial).
  ☆17Updated 4 years ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆38Updated 5 months ago