Alternatives and similar repositories for can-ai-do:

Users that are interested in can-ai-do are comparing it to the libraries listed below

• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆36Updated 2 years ago
• DS3Lab / RosENet
  ☆37Updated 4 years ago
• DrugAI / ACNet
  ☆14Updated 2 years ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆39Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆19Updated 2 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆28Updated 11 months ago
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆15Updated last year
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆71Updated 2 years ago
• wyji001 / Point-Cloud
  ☆21Updated 3 years ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆41Updated 2 years ago
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated last year
• drorlab / FRAME
  Fragment-based Molecular Expansion
  ☆20Updated last year
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆23Updated 3 years ago
• zhenglz / OnionNet-SFCT
  Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
  ☆27Updated 4 months ago
• oxpig / DEVELOP
  ☆55Updated last year
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆32Updated last year
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated 2 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• Genentech / Voxbind
  ☆22Updated 9 months ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆17Updated last year
• Barabasi-Lab / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆38Updated 11 months ago
• JingHuangLab / EViS
  EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity
  ☆13Updated 3 years ago
• hnlab / BindingNet
  ☆25Updated 9 months ago
• abdulsalam-bande / KDeep
  Implementation of the Kdeep Paper
  ☆21Updated 4 years ago
• wsjeon92 / morld
  ☆27Updated last year