jamesgleave / Deep-Docking-NonAutomated

Related projects ⓘ

Alternatives and complementary repositories for Deep-Docking-NonAutomated

• jamesgleave / DeepDockingGUI
  ☆31Updated 2 years ago
• czodrowskilab / VSFlow
  ☆84Updated last year
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆60Updated 4 months ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆83Updated last month
• fimrie / DeepCoy
  ☆23Updated 9 months ago
• vktrannguyen / MLSF-protocol
  ☆37Updated 10 months ago
• Novartis / pQSAR
  Massively multitask stacked model for predicting activity of thousands of biological assays
  ☆32Updated 3 years ago
• Novartis / pqsar2cpd
  pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.
  ☆30Updated last year
• jamesgleave / DD_protocol
  Official repository for the Deep Docking protocol
  ☆103Updated 11 months ago
• PatWalters / TS
  Thompson Sampling
  ☆52Updated last month
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated last year
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆31Updated 10 months ago
• oddt / rfscorevs_binary
  RF-Score-VS binary
  ☆30Updated 5 years ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆26Updated 5 months ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆25Updated last year
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆41Updated this week
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆52Updated 2 weeks ago
• tiwarylab / GrASP
  Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
  ☆50Updated 2 weeks ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆108Updated last year
• pfizer-opensource / pfabnet-viscosity
  ☆12Updated last year
• PatWalters / workshop
  ☆62Updated 3 years ago
• Vfold-RNA / RLDOCK
  ☆30Updated 7 months ago
• gfzhou / OpenVS
  Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"
  ☆35Updated last month
• volkamerlab / KinFragLib
  Kinase-focused fragment library
  ☆64Updated 2 weeks ago
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆35Updated last year
• MolecularAI / Lib-INVENT
  ☆55Updated last year
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 3 years ago
• rochoa85 / dockECR
  dockECR: open consensus docking and ranking protocol for virtual screening of small molecules
  ☆24Updated 3 years ago
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆50Updated 5 years ago
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆13Updated 2 years ago