Alternatives and similar repositories for 2021-iCYP-MFE

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

• DrugAI / ACNet
  ☆15Updated 3 years ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆15Updated 3 weeks ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• hnlab / BindingNet
  ☆25Updated 11 months ago
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• Fenglei104 / DiffPROTACs
  ☆18Updated 11 months ago
• SongXia-NYU / DiffDock-NMDN
  ☆14Updated 8 months ago
• Abdulk084 / CardioTox
  ☆19Updated 5 months ago
• molML / traversing_chem_space
  ☆23Updated 10 months ago
• zhangruochi / MolFeSCue
  ☆12Updated last year
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆39Updated last year
• JenniferKim09 / FFLOM
  ☆15Updated last year
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆27Updated 3 years ago
• yydiao1025 / MacFrag
  ☆26Updated 2 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆27Updated last month
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆9Updated last year
• hskang0906 / DTI-Prediction
  Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert
  ☆15Updated 8 months ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆19Updated last year
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated 2 years ago
• WIMNZhao / TS_Enhanced
  Enhanced Thompson Sampling
  ☆10Updated 2 months ago
• joewah / PheSAExamples
  ☆11Updated 11 months ago
• monterosatx / molecular-surface-mining
  Code used to mine surfaces.
  ☆15Updated 4 months ago
• Rose-STL-Lab / FS-CAP
  few-shot compound activity regression
  ☆13Updated 10 months ago
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 6 years ago
• batistagroup / DirectMultiStep
  DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
  ☆19Updated last month