Alternatives and similar repositories for BayeshERG:

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

• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆13Updated last year
• hskang0906 / DTI-Prediction
  Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert
  ☆12Updated 5 months ago
• chunkyun / ACGCN
  ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)
  ☆19Updated 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…
  ☆17Updated last year
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated 2 years ago
• Abdulk084 / CardioTox
  ☆18Updated 2 months ago
• MolFilterGAN / MolFilterGAN
  ☆14Updated last year
• ChloeKong / RG-MPNN
  ☆17Updated 2 years ago
• keiserlab / autofragdiff
  ☆27Updated 10 months ago
• DrugAI / ACNet
  ☆13Updated 2 years ago
• totient-bio / gatnn-vs
  Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning
  ☆21Updated 4 years ago
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆11Updated 5 years ago
• issararab / CToxPred
  Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2
  ☆19Updated 6 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆19Updated 2 years ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• divnori / Protac-Design
  UROP Project @ Coley Group
  ☆26Updated 2 years ago
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• sdecesco / CNS_MPO
  Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score
  ☆10Updated 6 years ago
• mindrank-ai / PharmaBench
  ☆33Updated 11 months ago
• danielvlla / Few-Shot-Learning-for-Low-Data-Drug-Discovery
  Few-shot machine learning for low-data drug discovery.
  ☆18Updated 2 years ago
• 5AGE-zhang / TocoDecoy
  ☆12Updated 2 years ago
• smiles724 / MROT
  ☆12Updated last year
• zhangruochi / MolFeSCue
  ☆11Updated 9 months ago
• GIST-CSBL / HoTS
  HoTS: Sequence-based prediction of binding regions and drug-target interactions.
  ☆26Updated 2 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆24Updated last week
• ETHmodlab / de_novo_design_RNN
  Code for "De novo molecular design with chemical language models"
  ☆17Updated 3 years ago
• CQ-zhang-2016 / Rag2Mol
  Structure-based drug design based on Retrieval Augmented Generation
  ☆16Updated 5 months ago
• micahwang / RELATION
  ☆15Updated 2 years ago
• Louchaofeng / IDL-PPBopt
  Code for "IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep L…
  ☆10Updated last year