Alternatives and similar repositories for KinaseDocker2

Users that are interested in KinaseDocker2 are comparing it to the libraries listed below

• CADD-SC / ADMET_Prediction_Models
  ☆13Updated 5 months ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆19Updated 2 months ago
• meyresearch / ActiveLearning_BindingAffinity
  Benchmarking active learning protocols for ligand binding affinity prediction
  ☆12Updated last year
• Sbolivar16 / MolecularDocking
  Tools for molecular Docking
  ☆27Updated 4 months ago
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated 2 years ago
• molecularmodelingsection / SuMD
  Python code to run Supervised Molecular Dynamics (SuMD) simulations
  ☆15Updated last year
• porekhov / CG_probeMD
  a pipeline for running MD simulations in the presence of probe molecules for druggability assessment
  ☆12Updated last year
• docking-org / pydock3
  Python package wrapping the DOCK Fortran program and providing several tools built on top of it.
  ☆14Updated 2 months ago
• BrooksResearchGroup-UM / FASTDock
  FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook
  ☆18Updated 2 years ago
• Team-SKI / snippets
  Snippets for common computer-aided drug design tasks
  ☆10Updated 8 years ago
• FatimaNoor74 / VirtuDockDL
  ☆20Updated last year
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 6 months ago
• mehdikariim / DockCADD-v2
  DockCADD An automated computational framework for molecular docking
  ☆15Updated 9 months ago
• BIMSBbioinfo / CompassDock
  Official Implementation of CompassDock
  ☆21Updated last year
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆44Updated 3 weeks ago
• keisuke-yanagisawa / exprorer_msmd
  MSMD (mixed-solvent molecular dynamics) engine and analysis tools
  ☆19Updated 8 months ago
• JingHuangLab / SWIT
  ☆11Updated last year
• LBLQMM / MACAW
  ☆14Updated 3 years ago
• dfhahn / protein-ligand-benchmark-analysis
  ☆22Updated 2 years ago
• sagagugit / ProBASS
  ☆12Updated last year
• ld139 / ApoDock_public
  Code for ApoDock
  ☆21Updated 8 months ago
• NiBoyang / AutoDock-SS
  Use AutoDock for Ligand-based Virtual Screening
  ☆22Updated last year
• zjujdj / MetalProGNet
  ☆13Updated last year
• Muzatheking12 / PoseidonQ
  AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps
  ☆18Updated last month
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆25Updated 3 years ago
• concept-lab / SiteFerret
  Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest
  ☆13Updated 2 years ago
• BaoJingxiao / DeepBSP
  Deep Binding Structure RMSD Prediction
  ☆22Updated 4 years ago
• Gervasiolab / Gervasio-Protein-Dynamics
  A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery
  ☆13Updated 9 months ago
• Abdulk084 / CardioTox
  ☆22Updated 11 months ago
• taoshen99 / AutoMolDesigner
  The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.
  ☆30Updated last year