Alternatives and similar repositories for Vina-CUDA

Users that are interested in Vina-CUDA are comparing it to the libraries listed below

• KexinZhangResearch / PhysDock
  Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction
  ☆84Updated 3 months ago
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆65Updated last month
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆77Updated 9 months ago
• guyuehuo / opendock
  ☆53Updated 3 weeks ago
• vktrannguyen / MLSF-protocol
  ☆41Updated 2 years ago
• SLx64 / af3cli
  A command-line interface and Python library for generating AlphaFold3 input files.
  ☆38Updated last week
• CAODH / EquiScore
  ☆81Updated 2 years ago
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆45Updated last month
• AstraZeneca / peptide-tools
  Collection of tools to calculate properties of natural or synthetic peptides and proteins.
  ☆51Updated 2 weeks ago
• gfzhou / OpenVS
  Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"
  ☆64Updated last year
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆86Updated last week
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆58Updated 5 months ago
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆40Updated 6 months ago
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆31Updated last month
• PKUGaoGroup / DSDPFlex
  DSDPFlex: Flexible-Receptor Docking with GPU Acceleration
  ☆23Updated 2 weeks ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆36Updated last week
• PKUGaoGroup / DSDP
  Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …
  ☆63Updated 6 months ago
• MolecularAI / PepINVENT
  ☆56Updated 9 months ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆57Updated 2 weeks ago
• Wublab / pythia_ppi
  PPI version of Pythia
  ☆25Updated 3 months ago
• zeysun / AntiBMPNN
  Repo of AntiBMPNN project for antibody sequence design.
  ☆23Updated 7 months ago
• Jfeldman34 / AF3Complex
  ☆52Updated 6 months ago
• wendao / CAGE-Prox
  Computer aided proximal decaging as a universal strategy for temporal protein activation
  ☆27Updated 7 months ago
• samuelmurail / af_analysis
  Analysis of alphafold and colabfold results
  ☆32Updated 2 weeks ago
• JieDuTQS / PPDOCK
  ☆22Updated 8 months ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆37Updated 9 months ago
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆53Updated last week
• lauramarie99 / ProtDesign2
  ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN
  ☆22Updated 10 months ago
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆36Updated 3 years ago