physicochemical-properties

There are 2 repositories under physicochemical-properties topic.

• kochlisGit / Wine-Preference-Analysis

  The purpose of this work is the modeling of the wine preferences by physicochemical properties. Such model is useful to support the oenologist wine tasting evaluations, improve and speed-up the wine production. A Neural Network was trained using Tensorflow, which was later tuned in order to achieve high-accuracy quality predictions.

  chemistrydata-sciencedata-analysispythonoptunaregression-analysistensorflowhyperparameter-optimizationhyperparameter-tuningkerasmachine-learningneural-networkphysicochemical-propertiesregression-modelscikit-learnwinewine-analysisinterpretabilityfeature-importanceshap-values
  Language:Jupyter Notebook 2

• olgatsiouri1996 / protein_physicochemical_properties_calculator

  ProtParam based program that outputs the id, pI, charge and molecular weight of each protein

  proteinphysicochemical-propertiespythoncommand-linegui
  Language:Python 2

• stefs304 / mhclovac

  MHC binding prediction based on modeled physicochemical properties of peptides

  mhc-binding-predictionphysicochemical-properties
  Language:Python 2

• aniket-ak / Machine-Learning-CASP-Dataset

  Prediction of the RMSD (Root Mean Square Deviation) of a decoy set using Physicochemical Properties of Protein Tertiary Structure Data Set using Machine Learning

  machine-learningregressioncaspphysicochemical-propertiesdata-preprocessing
  Language:Jupyter Notebook 0

• santuchal / Physicochemical_Properties_Small_Molecule

  Physicochemical Property data extraction from small molecule

  admecheminfocheminformaticsphysicochemical-propertiessmall-molecules
  Language:Python 0

• nbehrnd / Tautobase

  Contains relevant project files to publicly available tautomer database "Tautobase" for DataWarrior

  chemistrydrug-discoveryphysicochemical-propertiestautomer-ratiostautomer