Alternatives and similar repositories for 2021-iCYP-MFE

Users that are interested in 2021-iCYP-MFE are comparing it to the libraries listed below

• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• Abdulk084 / CardioTox
  ☆20Updated 7 months ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆30Updated 3 months ago
• issararab / CToxPred
  Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2
  ☆19Updated 11 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• SongXia-NYU / DiffDock-NMDN
  ☆16Updated 10 months ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆27Updated 3 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• DrugAI / ACNet
  ☆16Updated 3 years ago
• hnlab / BindingNet
  ☆25Updated last year
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆39Updated last year
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• Fenglei104 / DiffPROTACs
  ☆18Updated last year
• zhangruochi / MolFeSCue
  ☆12Updated last year
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆14Updated last year
• joewah / PheSAExamples
  ☆11Updated last year
• FatimaNoor74 / VirtuDockDL
  ☆19Updated 10 months ago
• sekijima-lab / mermaid
  ☆12Updated 3 years ago
• AnHorn / AIMLinker
  Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design
  ☆11Updated last year
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• molML / traversing_chem_space
  ☆25Updated last year
• JamEwe / ADMET-PrInt
  Evaluation of physicochemical and ADMET properties as an important stage of the drug design process – prediction, interpretation, and opt…
  ☆15Updated 4 months ago
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆14Updated last year
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• batistagroup / DirectMultiStep
  DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
  ☆19Updated last month
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆19Updated 9 months ago
• YanjunLi-CS / dyscore
  Open source code for DyScore
  ☆20Updated 2 years ago
• monterosatx / molecular-surface-mining
  Code used to mine surfaces.
  ☆21Updated 6 months ago
• JenniferKim09 / FFLOM
  ☆15Updated last year