molecular-data

There are 0 repository under molecular-data topic.

• justinmc / parse-pdb

  A small utility for parsing PDB files into useable JSON

  pdbjsonmolecular-datamolecule
  Language:JavaScript 9

• V-Z / course-r-mol-data

  R is nowadays probably the most powerful tool for calculations of all kinds. There are plenty of modules available for work with molecular data. Those will be introduced during the course.

  rmolecular-biologymolecular-evolutioncourselearningscriptsscriptingdata-analysisdata-visualizationmolecular-databioconductorphylogeneticsphylogenetic-treesphylogenypopulation-geneticspopulation-genomicspopulation-structurebiogeographyphylogeographyevolution
  Language:TeX 9
• ALeCS

  AstroBrandt / ALeCS

  This is the data repository for the Astrochemistry Low-energy electron Cross-Section (ALeCS) database. This database presents electron-impact cross sections and molecular data relevant for electron ionization processes.

  astrochemistryastronomyatomic-dataenergetic-particlesmolecular-dataquantum-chemistry
  Language:XS 3

• AAnzel / TVSDS

  Supplementary material for the paper The Visual Story of Data Storage: From Storage Properties to User Interfaces, by Aleksandar Anžel, Dominik Heider, and Georges Hattab

  data-visualizationdata-storageui-designuiinformation-visualizationstorage-mediastorage-life-cyclestorage-typesvisualizationmolecular-data
  Language:Jupyter Notebook 2

• gfbio / molecular-submission-templates

  CSV templates for preparing molecular data submission via GFBio

  gfbiocsvdata-brokeragemolecular-datamixs-standardcsv-templates
  2

• mirko-leccese / PAH-Hydrogenation-Thermodynamics

  Fortran code to investigate the Thermodynamics of PAH stepwise-hydrogenation reaction

  algorithmscomputational-chemistrymolecular-dataoptimizationrandom-walkthermodynamics
  Language:Fortran 1

• RidwanSharkar / Pharmacological-Compound-Classifier

  ⌬ Predictive Modeling of Pharmacological Classifications | Using ML to identify Structure-Activity-Relationships (QSAR)

  machine-learningkeras-neural-networkstensorflowflaskweb-scrapingmolecular-data
  Language:Python 0