Alternatives and similar repositories for mermaid

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

• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆21Updated 2 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 6 months ago
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated 2 years ago
• joewah / PheSAExamples
  ☆11Updated last year
• keisuke-yanagisawa / exprorer_msmd
  MSMD (mixed-solvent molecular dynamics) engine and analysis tools
  ☆19Updated 6 months ago
• AnyoLabs / iScore
  Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…
  ☆16Updated last year
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆30Updated 4 months ago
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆39Updated last year
• ci-lab-cz / crem-dock
  CReM-dock: generation of chemically reasonable molecules guided by molecular docking
  ☆27Updated last month
• Abdulk084 / CardioTox
  ☆22Updated 9 months ago
• keiserlab / autoparty
  ML-guided visual inspection for molecular docking
  ☆20Updated 4 months ago
• SongXia-NYU / DiffDock-NMDN
  ☆16Updated 11 months ago
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 6 years ago
• issararab / CToxPred
  Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2
  ☆20Updated last year
• sekijima-lab / SIEVE-Score
  SIEVE-Score: interaction energy-based virtual screening method based on random forest.
  ☆15Updated 2 years ago
• f-rianjongdee / bbSelect
  ☆13Updated last year
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• pfnet-research / RJT-RL
  RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning
  ☆24Updated 3 years ago
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆14Updated last year
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆11Updated last year
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• PatWalters / sfi
  An implementation of the Solubility Forecast Index (SFI)
  ☆23Updated this week
• oxpig / AEV-PLIG
  ☆25Updated 7 months ago
• NilsDunlop / PROTACFold
  A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.
  ☆34Updated 2 months ago
• mcsorkun / AqSolPred-web
  Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).
  ☆10Updated 10 months ago
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 3 years ago
• sekijima-lab / DiffInt
  ☆17Updated 4 months ago
• FatimaNoor74 / VirtuDockDL
  ☆20Updated last year