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
  ☆27Updated 2 years ago
• Abdulk084 / CardioTox
  ☆22Updated 11 months ago
• DrugAI / ACNet
  ☆17Updated 3 years ago
• SongXia-NYU / DiffDock-NMDN
  ☆16Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆11Updated last year
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆31Updated 7 months ago
• zhangruochi / MolFeSCue
  ☆12Updated last year
• hnlab / BindingNet
  ☆26Updated last year
• FatimaNoor74 / VirtuDockDL
  ☆21Updated last year
• AnHorn / AIMLinker
  Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design
  ☆12Updated 2 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated 2 years ago
• WIMNZhao / TS_Enhanced
  Enhanced Thompson Sampling
  ☆11Updated 8 months ago
• issararab / CToxPred
  Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2
  ☆20Updated last year
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆39Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 3 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆28Updated 3 years ago
• Fenglei104 / DiffPROTACs
  ☆18Updated last year
• joewah / PheSAExamples
  ☆12Updated last year
• yydiao1025 / MacFrag
  ☆29Updated 2 years ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆33Updated 4 years ago
• molML / traversing_chem_space
  Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …
  ☆28Updated last year
• sekijima-lab / mermaid
  ☆11Updated 4 years ago
• oxpig / MolSnapper
  ☆53Updated 7 months ago
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆14Updated last year
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆20Updated 3 months ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• JenniferKim09 / FFLOM
  ☆17Updated 2 years ago
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆29Updated last year
• batistagroup / DirectMultiStep
  DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
  ☆26Updated 2 months ago