Alternatives and similar repositories for pyKVFinder

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

• dkoes / pharmit
  Open-source online virtual screening tools for large databases
  ☆27Updated last year
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆61Updated 3 weeks ago
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆56Updated 2 months ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆34Updated last year
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆53Updated 2 years ago
• czodrowskilab / VSFlow
  ☆92Updated 4 months ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆50Updated 3 weeks ago
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆45Updated last month
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆34Updated 5 months ago
• iriziotis / Uniprot-PDB-mapper
  Quick mapping of Uniprot sequences to PDB structures
  ☆32Updated 3 months ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆33Updated 3 months ago
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆38Updated 4 months ago
• JoaoRodrigues / openmm_scripts
  Collection of Python scripts to setup and run simulations with OpenMM
  ☆17Updated 5 years ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆59Updated 3 weeks ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆49Updated last week
• pstansfeld / MemProtMD
  ☆45Updated 2 months ago
• ParImmune / SINAPs
  ☆18Updated 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
  ☆16Updated 9 months ago
• tiwarylab / GrASP
  Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
  ☆51Updated 3 weeks ago
• tiwarylab / alphafold2rave
  ☆68Updated last year
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆58Updated last week
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆30Updated last month
• DrugBud-Suite / DockM8
  All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
  ☆47Updated 5 months ago
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• healx / lig3dlens
  ☆54Updated 4 months ago
• PDBeurope / ccdutils
  A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…
  ☆60Updated 4 months ago
• oxpig / MolSnapper
  ☆48Updated 2 months ago
• rareylab / InteractionDrawer
  InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
  ☆22Updated last year
• durrantlab / gypsum_dl
  Open-source tool to generate 3D-ready small molecules for virtual screening
  ☆58Updated this week
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆31Updated last month