Alternatives and similar repositories for dionysus

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

• osmoai / osmordred
  Mordred port in cpp
  ☆49Updated 3 months ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆43Updated 4 years ago
• coleygroup / sparrow
  ☆51Updated last month
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 7 months ago
• truejulosdu13 / NiCOlit
  Repository for the featurization of the NiCOlit reaction dataset and machine learning model training for yield prediction
  ☆14Updated 2 years ago
• samplchallenges / SAMPL9
  ☆29Updated last year
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated last year
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated 11 months ago
• AustinT / mol_ga
  Simple, lightweight package for genetic algorithms on molecules
  ☆56Updated 7 months ago
• wolberlab / dynophores
  Dynamic pharmacophore modeling of molecular interactions
  ☆35Updated last year
• yanfeiguan / reactivity_predictions_substitution
  Platforms to predict reactivity for substitution reactions.
  ☆20Updated 4 years ago
• hesther / reactiondatabase
  A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.
  ☆33Updated last year
• mahendra-awale / medchem_moves
  ☆45Updated 4 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆27Updated last year
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆67Updated this week
• hutchisonlab / QupKake
  Machine Learning model for molecular micro-pKa prediction
  ☆41Updated 8 months ago
• czodrowskilab / 5minfame
  ☆37Updated last year
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆43Updated last week
• PNNL-CompBio / ML_UVvisModels
  ☆13Updated last year
• rdkit / PREFER
  ☆28Updated last year
• oxpig / CoPriNet
  Deep learning for compound price prediction
  ☆19Updated 9 months ago
• jku-vds-lab / cime
  cime public repository
  ☆33Updated 2 years ago
• RPirie96 / RGMolSA
  ☆34Updated last year
• PatWalters / yamc
  Yet another ML method comparison
  ☆16Updated 2 years ago
• rxn4chemistry / rxn-chemutils
  Chemistry-related Python utilities used in the RXN universe
  ☆25Updated 10 months ago
• whitead / synspace
  Synthesis generative model
  ☆42Updated last month
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆39Updated last week
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆25Updated 2 months ago
• coleygroup / rdcanon
  SMARTS sanitization
  ☆25Updated last week