Alternatives and similar repositories for r-BRICS

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

• DrugAI / ACNet
  ☆17Updated 3 years ago
• chunkyun / ACGCN
  ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)
  ☆20Updated 2 years ago
• yydiao1025 / MacFrag
  ☆29Updated 2 years ago
• micahwang / RELATION
  ☆17Updated 3 years ago
• Abdulk084 / CardioTox
  ☆22Updated last year
• zhangruochi / MolFeSCue
  ☆12Updated last year
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆28Updated 2 years ago
• f-rianjongdee / bbSelect
  ☆13Updated last year
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆14Updated 2 years ago
• batistagroup / DirectMultiStep
  DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
  ☆26Updated 3 months ago
• hnlab / BindingNet
  ☆26Updated 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
• 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
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆11Updated last year
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆21Updated 3 months ago
• SongXia-NYU / DiffDock-NMDN
  ☆16Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• molML / RUSH
  Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…
  ☆19Updated 10 months ago
• sekijima-lab / mermaid
  ☆11Updated 4 years ago
• OpenBioSim / biosimspace_tutorials
  A tutorials suite for BioSimSpace.
  ☆33Updated 2 months ago
• pnnl / solubility-prediction-paper
  ☆15Updated 3 years ago
• WIMNZhao / AIR
  AI-augmented R-group exploration in medicinal chemistry
  ☆18Updated last year
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆45Updated 3 years ago
• LIT-CCM-lab / SpaceDock
  ☆18Updated last year
• WIMNZhao / TS_Enhanced
  Enhanced Thompson Sampling
  ☆12Updated 8 months ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆32Updated last year
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 9 months ago
• ci-lab-cz / crem-dock
  CReM-dock: generation of chemically reasonable molecules guided by molecular docking
  ☆28Updated 2 weeks ago