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
• DrugAI / ACNet
  ☆15Updated 3 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• DS3Lab / RosENet
  ☆37Updated 4 years ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆19Updated last year
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆40Updated 2 years ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated 2 years ago
• ohuelab / QEPPI
  Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions
  ☆18Updated last year
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated last year
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆28Updated last year
• hnlab / BindingNet
  ☆25Updated 11 months ago
• zhenglz / OnionNet-SFCT
  Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
  ☆28Updated 6 months ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆15Updated 3 weeks ago
• ChloeKong / RG-MPNN
  ☆18Updated 2 years ago
• wyji001 / Point-Cloud
  ☆21Updated 3 years ago
• fimrie / DEVELOP
  ☆14Updated 3 years ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆40Updated last year
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• deep-scaffold / deep_scaffold
  ☆26Updated 5 years ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• biomed-AI / DiffDec
  ☆34Updated last year
• abdulsalam-bande / KDeep
  Implementation of the Kdeep Paper
  ☆21Updated 4 years ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• BFeng14 / ActFound
  Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning
  ☆42Updated 7 months ago
• OdinZhang / SDEGen
  ☆23Updated last year