hnlab / BindingNet

Related projects ⓘ

Alternatives and complementary repositories for BindingNet

• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆23Updated last year
• yydiao1025 / MacFrag
  ☆18Updated last year
• MolecularAI / DockStreamCommunity
  ☆26Updated last year
• JingHuangLab / EViS
  EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity
  ☆13Updated 2 years ago
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆18Updated last year
• biomed-AI / DiffDec
  ☆29Updated 4 months ago
• Vfold-RNA / RLDOCK
  ☆30Updated 7 months ago
• freeenergylab / FEP-SPell-ABFE
  FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery
  ☆19Updated last month
• keisuke-yanagisawa / exprorer_msmd
  MSMD (mixed-solvent molecular dynamics) engine and analysis tools
  ☆17Updated last month
• oxpig / MolSnapper
  ☆22Updated last week
• micahwang / RELATION
  ☆15Updated 2 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆21Updated last year
• rareylab / InteractionDrawer
  InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
  ☆17Updated last year
• mindrank-ai / PharmaBench
  ☆26Updated 7 months ago
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆10Updated 6 months ago
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆17Updated last week
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆27Updated 5 months ago
• bigginlab / WaterDock-2.0
  WaterDock-2.0 implementation with Akshay Sridhar
  ☆15Updated last year
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆22Updated 2 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 2 years ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆30Updated 3 weeks ago
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆29Updated 8 months ago
• docking-org / ChemInfTools
  A collection of small scripts and utilities that would otherwise float around in other repositories
  ☆13Updated 2 years ago
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆46Updated last year
• GilbertoPPereira / PROTACability
  ☆11Updated last year
• ci-lab-cz / streamd
  Automate MD associated calculations
  ☆35Updated this week
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆11Updated 5 years ago
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated 11 months ago
• THGLab / PDBBind-Opt
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆12Updated 2 weeks ago