Alternatives and similar repositories for p2rank-framework:

Users that are interested in p2rank-framework 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
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆34Updated 3 weeks ago
• rdk / p2rank-datasets
  Datasets for P2Rank project. https://github.com/rdk/p2rank
  ☆18Updated 3 months ago
• ljmartin / dockviz
  docking visualization with py3dmol and streamlit
  ☆23Updated 3 years ago
• genki-kudo / Pocket-to-Concavity
  Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres
  ☆14Updated 4 months ago
• BIMSBbioinfo / CompassDock
  Official Implementation of CompassDock
  ☆18Updated 4 months ago
• BrooksResearchGroup-UM / FASTDock
  FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook
  ☆18Updated last year
• NiBoyang / AutoDock-SS
  Use AutoDock for Ligand-based Virtual Screening
  ☆20Updated 6 months ago
• MooersLab / EasyPyMOL
  Script to facilitate the making of horizontal scripts
  ☆15Updated 8 months ago
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆30Updated 2 weeks ago
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆31Updated this week
• dfhahn / protein-ligand-benchmark-analysis
  ☆21Updated last year
• rareylab / InteractionDrawer
  InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
  ☆18Updated last year
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated last year
• oxpig / MolSnapper
  ☆23Updated 3 months ago
• AspirinCode / GENiPPI
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆12Updated last month
• rochoa85 / dockECR
  dockECR: open consensus docking and ranking protocol for virtual screening of small molecules
  ☆26Updated 3 years ago
• ld139 / ApoDock_public
  Code for ApoDock
  ☆19Updated last month
• FatimaNoor74 / VirtuDockDL
  ☆15Updated 4 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 8 months ago
• zjujdj / MetalProGNet
  ☆12Updated 7 months ago
• dahuilangda / stapep_package
  ☆15Updated 2 months ago
• RishalAggarwal / Pharmrl
  Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning
  ☆13Updated last month
• 3BioCompBio / pyScoMotif
  Python tool for the discovery of similar 3D structural motifs across protein structures.
  ☆26Updated last year
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆26Updated 8 months ago
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆23Updated 2 years ago
• ibmm-unibe-ch / glycosylator
  A Python framework for the rapid modeling of glycans
  ☆13Updated 3 weeks ago
• biotite-dev / molmarbles
  A bridge between Biotite and OpenMM
  ☆14Updated 9 months ago
• AspirinCode / iPPIGAN
  De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors
  ☆18Updated 3 months ago