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
• biomed-AI / DRlinker
  ☆23Updated 2 years ago
• wyji001 / Point-Cloud
  ☆20Updated 3 years ago
• DS3Lab / RosENet
  ☆37Updated 4 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
• Vfold-RNA / RLDOCK
  ☆32Updated 11 months ago
• DrugAI / ACNet
  ☆13Updated 2 years ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆37Updated last year
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆15Updated last year
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆28Updated last year
• keiserlab / autofragdiff
  ☆27Updated 10 months ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆18Updated 3 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆19Updated 2 years ago
• hnlab / BindingNet
  ☆23Updated 8 months ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated last year
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆62Updated 3 months ago
• jaechanglim / DTI_PDBbind
  ☆32Updated 3 years ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆16Updated last year
• OdinZhang / SDEGen
  ☆22Updated last year
• zjujdj / IGN
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆30Updated 3 years ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 5 months ago
• 5AGE-zhang / TocoDecoy
  ☆12Updated 2 years ago
• anny0316 / GEOM-CVAE
  ☆15Updated 3 years ago
• zhenglz / OnionNet-SFCT
  Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
  ☆27Updated 4 months ago
• PNNL-CompBio / pf-gnn_pli
  ☆12Updated 3 years ago