Alternatives and similar repositories for r-BRICS

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

• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• hnlab / BindingNet
  ☆25Updated last year
• batistagroup / DirectMultiStep
  DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
  ☆24Updated 3 weeks ago
• DrugAI / ACNet
  ☆16Updated 3 years ago
• f-rianjongdee / bbSelect
  ☆13Updated last year
• zhangruochi / MolFeSCue
  ☆12Updated last year
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆14Updated 2 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆30Updated 5 months ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• molML / traversing_chem_space
  ☆27Updated last year
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆11Updated last year
• pnnl / solubility-prediction-paper
  ☆15Updated 3 years ago
• molML / RUSH
  ☆19Updated 8 months ago
• sekijima-lab / mermaid
  ☆12Updated 4 years ago
• sekijima-lab / SIEVE-Score
  SIEVE-Score: interaction energy-based virtual screening method based on random forest.
  ☆15Updated 2 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆31Updated last year
• chunkyun / ACGCN
  ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)
  ☆19Updated 2 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆18Updated last month
• 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
• ci-lab-cz / crem-dock
  CReM-dock: generation of chemically reasonable molecules guided by molecular docking
  ☆27Updated last month
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆35Updated 4 months ago
• Abdulk084 / CardioTox
  ☆22Updated 9 months ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated last year
• sekijima-lab / DiffInt
  ☆19Updated 5 months ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• ChloeKong / RG-MPNN
  ☆18Updated 3 years ago