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.
  ☆20Updated 2 months ago
• BIMSBbioinfo / CompassDock
  Official Implementation of CompassDock
  ☆21Updated last year
• Sbolivar16 / MolecularDocking
  Tools for molecular Docking
  ☆27Updated 4 months ago
• BrooksResearchGroup-UM / FASTDock
  FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook
  ☆18Updated 2 years ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 7 months ago
• bio-hpc / metascreener
  Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.
  ☆28Updated last month
• meyresearch / ActiveLearning_BindingAffinity
  Benchmarking active learning protocols for ligand binding affinity prediction
  ☆12Updated last year
• porekhov / CG_probeMD
  a pipeline for running MD simulations in the presence of probe molecules for druggability assessment
  ☆12Updated last week
• Team-SKI / snippets
  Snippets for common computer-aided drug design tasks
  ☆10Updated 8 years ago
• mehdikariim / DockCADD-v2
  DockCADD An automated computational framework for molecular docking
  ☆15Updated 9 months ago
• FatimaNoor74 / VirtuDockDL
  ☆21Updated last year
• taoshen99 / AutoMolDesigner
  The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.
  ☆30Updated last year
• molecularmodelingsection / SuMD
  Python code to run Supervised Molecular Dynamics (SuMD) simulations
  ☆15Updated last year
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated 2 years ago
• LBLQMM / MACAW
  ☆14Updated 3 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 8 months ago
• docking-org / pydock3
  Python package wrapping the DOCK Fortran program and providing several tools built on top of it.
  ☆14Updated 3 months ago
• keiserlab / autoparty
  ML-guided visual inspection for molecular docking
  ☆21Updated 6 months ago
• harry-maan / gmx_qk
  ☆21Updated last year
• dfhahn / protein-ligand-benchmark-analysis
  ☆22Updated 2 years ago
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆45Updated last month
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 6 years ago
• zjujdj / MetalProGNet
  ☆13Updated last year
• JingHuangLab / SWIT
  ☆11Updated last year
• tlint101 / pharmacophore-toolkit
  Generate simple pharmacophore models from RDKit
  ☆41Updated 4 months ago
• radifar / pyplif
  Automatically exported from code.google.com/p/pyplif
  ☆10Updated 7 years ago
• BaoJingxiao / DeepBSP
  Deep Binding Structure RMSD Prediction
  ☆22Updated 4 years ago
• AlanHassen / led3score
  ☆13Updated last year
• sekijima-lab / mermaid
  ☆11Updated 4 years ago