Alternatives and similar repositories for UDM

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

• TUCAN-nest / TUCAN
  A molecular identifier and descriptor for all domains of chemistry.
  ☆24Updated 6 months ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆41Updated last year
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆41Updated 11 months ago
• vogt-m / ccbmlib
  Modeling Tanimoto distributions for RDKit
  ☆17Updated 5 years ago
• JelfsMaterialsGroup / stko
  A collection of molecular optimisers and property calculators for use with stk.
  ☆24Updated 2 months ago
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆35Updated 4 years ago
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆43Updated last month
• khoivan88 / pka_lookup
  Python script to lookup pKa values
  ☆26Updated last month
• IUPAC / IUPAC_SMILES_plus
  IUPAC SMILES+ Specification
  ☆38Updated last year
• MobleyLab / chemper
  Repository for Chemical Perception Sampling Tools
  ☆21Updated 11 months ago
• whitead / synspace
  Synthesis generative model
  ☆46Updated 2 months ago
• lamalab-org / MoleculeBind
  MoleculeBind is a machine-learning framework for chemistry, where we target unifying various molecular representations into one common la…
  ☆19Updated this week
• simonmb / fragmentation_algorithm_paper
  Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)
  ☆35Updated 3 years ago
• rsc-ontologies / rxno
  Name Reaction Ontology
  ☆42Updated 2 years ago
• duartegroup / molfunc
  fast functionalisation of molecules
  ☆37Updated 3 years ago
• StructureGenerator / surge
  A Fast Chemical Graph Generator
  ☆82Updated 2 years ago
• NREL / alfabet
  Machine learning predictions of bond dissociation energy
  ☆62Updated 10 months ago
• patonlab / wSterimol
  Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
  ☆29Updated 3 years ago
• cernaklab / jchemed-chemoinformatics
  ☆11Updated last year
• AstraZeneca / hsqc_structure_elucidation
  Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …
  ☆15Updated last year
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆75Updated last year
• dsvatunek / autoDIAS
  autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis
  ☆17Updated 3 years ago
• JacksonBurns / fastsolv
  fastsolv python package, website, and paper code
  ☆19Updated last month
• cgrambow / ard_gsm
  Automated reaction discovery and dataset generation with the growing string method
  ☆20Updated 5 years ago
• openforcefield / cmiles
  Generate canonical molecule identifiers for quantum chemistry database
  ☆23Updated 4 years ago
• czodrowskilab / 5minfame
  ☆37Updated last year
• greglandrum / aisem23
  Repository for the SCS Spring School on Digital Chemistry
  ☆20Updated 2 years ago
• denoptim-project / DENOPTIM
  DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.
  ☆37Updated last month
• samplchallenges / SAMPL9
  ☆29Updated last year
• jensengroup / protonator
  Quick and dirty protonation
  ☆16Updated 3 years ago