Alternatives and similar repositories for r-BRICS

Users that are interested in r-BRICS are comparing it to the libraries listed below

• DrugAI / ACNet
  ☆16Updated 3 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆17Updated 2 months ago
• pnnl / solubility-prediction-paper
  ☆14Updated 3 years ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• chunkyun / ACGCN
  ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)
  ☆19Updated 2 years ago
• wangzhehyd / fastsmcg
  Data and code required to reach the main conclusions of the fastsmcg paper
  ☆10Updated 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 2 years ago
• MolFilterGAN / MolFilterGAN
  ☆14Updated 2 years ago
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆14Updated last year
• 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…
  ☆11Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• zhangruochi / MolFeSCue
  ☆12Updated last year
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• 5AGE-zhang / TocoDecoy
  ☆12Updated 3 years ago
• HUBioDataLab / ProtBENCH
  ☆12Updated last year
• Abdulk084 / CardioTox
  ☆20Updated 7 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆27Updated 3 years ago
• martin-sicho / genui-gui
  GenUI frontend application. It provides a GUI to the GenUI REST API web services.
  ☆20Updated last year
• pgniewko / solubility
  My (small) research project in solubility of drug-like molecules
  ☆18Updated 4 years ago
• zjujdj / MetalProGNet
  ☆12Updated last year
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆20Updated last month
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆14Updated last year
• micahwang / RELATION
  ☆17Updated 2 years ago
• f-rianjongdee / bbSelect
  ☆12Updated last year
• hnlab / BindingNet
  ☆25Updated last year
• issararab / CToxPred
  Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2
  ☆19Updated 11 months ago
• Fenglei104 / DiffPROTACs
  ☆18Updated last year