Alternatives and similar repositories for r-BRICS

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

• MolecularAI / DockStreamCommunity
  ☆27Updated 2 years ago
• DrugAI / ACNet
  ☆17Updated 3 years ago
• 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
• pnnl / solubility-prediction-paper
  ☆15Updated 3 years ago
• chunkyun / ACGCN
  ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)
  ☆19Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 3 years ago
• f-rianjongdee / bbSelect
  ☆13Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆23Updated 2 years ago
• sekijima-lab / mermaid
  ☆11Updated 4 years ago
• yydiao1025 / MacFrag
  ☆28Updated 2 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 8 months 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
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated 2 years ago
• litfsindt / LIT-SpaceDock
  ☆17Updated 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
• Abdulk084 / CardioTox
  ☆22Updated 11 months ago
• MolFilterGAN / MolFilterGAN
  ☆15Updated 2 years ago
• ci-lab-cz / crem-dock
  CReM-dock: generation of chemically reasonable molecules guided by molecular docking
  ☆28Updated last week
• Lleyton-Ariton / molecule-generation
  Molecular SMILE generation with recurrent neural networks
  ☆20Updated 5 months ago
• ZiqiaoZhang / FraGAT
  FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction
  ☆27Updated 4 years ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• WIMNZhao / AIR
  AI-augmented R-group exploration in medicinal chemistry
  ☆18Updated last year
• SKTeamLab / P4ward
  ☆16Updated last week
• OpenBioSim / biosimspace_tutorials
  A tutorials suite for BioSimSpace.
  ☆31Updated last month
• WIMNZhao / TS_Enhanced
  Enhanced Thompson Sampling
  ☆11Updated 8 months ago
• batistagroup / DirectMultiStep
  DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
  ☆24Updated 2 months ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆31Updated last year
• jkwang93 / ChemistGA
  ☆22Updated 3 years ago