Alternatives and similar repositories for ACNet

Users that are interested in ACNet are comparing it to the libraries listed below

• hnlab / BindingNet
  ☆25Updated last year
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• mldlproject / 2021-iCYP-MFE
  Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…
  ☆18Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆36Updated last year
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆63Updated last year
• oxpig / DEVELOP
  ☆56Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• anny0316 / GEOM-CVAE
  ☆15Updated 3 years ago
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆45Updated 2 years ago
• BFeng14 / ActFound
  Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning
  ☆42Updated 8 months ago
• abdulsalam-bande / KDeep
  Implementation of the Kdeep Paper
  ☆21Updated 4 years ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆40Updated 2 years ago
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆13Updated last year
• wzxxxx / MGA
  MGA
  ☆43Updated 4 years ago
• molML / traversing_chem_space
  ☆24Updated 10 months ago
• yydiao1025 / MacFrag
  ☆26Updated 2 years ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆26Updated 3 months ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆60Updated 4 months ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆42Updated last year
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆32Updated 3 years ago
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆14Updated last year
• iipharma / transpharmer-repo
  ☆36Updated 3 months ago