Alternatives and similar repositories for generative-virtual-screening

Users that are interested in generative-virtual-screening are comparing it to the libraries listed below

• ChatMol / molecule-mcp
  A model-context-protocol server for molecules.
  ☆88Updated 9 months ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆52Updated 3 years ago
• RyanZR / labodock
  LABODOCK: A Colab-Based Molecular Docking Tools
  ☆50Updated last year
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆77Updated 9 months ago
• mqcomplab / bblean
  BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries
  ☆103Updated last week
• czodrowskilab / VSFlow
  ☆101Updated 11 months ago
• Sbolivar16 / MolecularDocking
  Tools for molecular Docking
  ☆27Updated 6 months ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆79Updated 10 months ago
• patrickbryant1 / Cfold
  Structure prediction of alternative protein conformations
  ☆80Updated 11 months ago
• MSDLLCpapers / ovo
  OVO, an open-source ecosystem for de novo protein design
  ☆104Updated 3 weeks ago
• Graylab / AlphaRED
  AlphaFold-initiated replica exchange protein docking
  ☆87Updated 8 months ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆86Updated 3 months ago
• meyresearch / BALM
  Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models
  ☆35Updated last year
• Glinttsd / Vina-GPU-CUDA
  A CUDA implementation of Vina-GPU
  ☆30Updated 3 years ago
• rwmontalvao / Melodia_py
  Protein Structure Analysis
  ☆63Updated 4 months ago
• microsoft / cleavenet
  Deep learning tools for peptide substrate prediction and generation
  ☆36Updated 2 months ago
• NeurosnapInc / neurosnap
  Collection of useful bioinformatic functions and tools for various computational biology pipelines
  ☆39Updated this week
• rochoa85 / dockECR
  dockECR: open consensus docking and ranking protocol for virtual screening of small molecules
  ☆27Updated 4 years ago
• colbyford / PyMOLfold
  Plugin for folding sequences directly in PyMOL
  ☆115Updated 6 months ago
• mims-harvard / ATOMICA
  Learning Universal Representations of Intermolecular Interactions with ATOMICA
  ☆199Updated 4 months ago
• log-md / sliFrame
  Slides + Iframe = sliFrame
  ☆55Updated 10 months ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆129Updated 2 years ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆42Updated 2 years ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆79Updated last year
• jamesgleave / DeepDockingGUI
  ☆37Updated 3 years ago
• log-md / logmd
  ☆67Updated 9 months ago
• CDDLeiden / PCMol
  Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
  ☆73Updated 10 months ago
• jamesgleave / DD_protocol
  Official repository for the Deep Docking protocol
  ☆125Updated 2 years ago
• chavesejf / PBEE
  A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes
  ☆49Updated 3 months ago
• NVIDIA-BioNeMo-blueprints / generative-protein-binder-design
  NVIDIA BioNeMo blueprint for generative protein binder design
  ☆36Updated last week