Alternatives and similar repositories for ACNet

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

• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• 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…
  ☆17Updated last year
• hnlab / BindingNet
  ☆25Updated 10 months ago
• micahwang / RELATION
  ☆16Updated 2 years ago
• molML / traversing_chem_space
  ☆22Updated 8 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated 11 months ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• pfizer-opensource / transform-molecules
  ☆16Updated 2 years ago
• akiyamalab / cycpeptmp
  Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides
  ☆21Updated this week
• ChloeKong / RG-MPNN
  ☆17Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• ashipiling / GPT_3DSMILES
  ☆23Updated 4 months ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆14Updated last year
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆34Updated 7 months ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆29Updated last year
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆17Updated 5 months ago
• mseok / PIGNet2
  Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…
  ☆18Updated 3 months ago
• batistagroup / DirectMultiStep
  DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
  ☆15Updated last week
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated 11 months ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆19Updated 3 weeks ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆24Updated last month
• iipharma / transpharmer-repo
  ☆33Updated last month
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆34Updated last year
• oxpig / DEVELOP
  ☆55Updated last year
• biomed-AI / DRlinker
  ☆24Updated 2 years ago
• IDEA-XL / LigUnity
  Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…
  ☆17Updated this week