Alternatives and similar repositories for UNIQUE:

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

• mqcomplab / bitbirch
  BitBIRCH clustering algorithm
  ☆41Updated last week
• PatWalters / yamc
  Yet another ML method comparison
  ☆17Updated 2 years ago
• AustinT / mol_ga
  Simple, lightweight package for genetic algorithms on molecules
  ☆50Updated 3 months ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆40Updated 4 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆25Updated 9 months ago
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆57Updated 11 months ago
• RPirie96 / RGMolSA
  ☆33Updated 11 months ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆39Updated last year
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 years ago
• PatWalters / TS
  Thompson Sampling
  ☆59Updated last month
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆61Updated 2 months ago
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆54Updated 2 years ago
• UnixJunkie / dimorphite_dl
  Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
  ☆17Updated 2 years ago
• polaris-hub / polaris-method-comparison
  Experiments for the method comparison paper.
  ☆22Updated 2 months ago
• rinikerlab / overlapping_assays
  Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".
  ☆34Updated last year
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆24Updated 9 months ago
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆36Updated 6 months ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆58Updated 2 years ago
• knu-lcbc / MolForge
  ☆20Updated last year
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆57Updated this week
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• wolberlab / dynophores
  Dynamic pharmacophore modeling of molecular interactions
  ☆34Updated 9 months ago
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆33Updated last year
• SEDenmarkLab / molli
  Molecular Library Toolbox
  ☆56Updated 3 months ago
• molecularinformatics / roshambo
  ☆71Updated 5 months ago
• ghiander / novana
  Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆48Updated 2 weeks ago
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆37Updated last year
• molecularinformatics / Computational-ADME
  ☆78Updated last year
• czodrowskilab / Machine-learning-meets-pKa
  ☆73Updated last year