smarts

There are 7 repositories under smarts topic.

  • epam/Indigo

    Universal cheminformatics toolkit, utilities and database search tools

    Language:C++315461.5k103
  • EYcalc

    PerovskitePV/EYcalc

    This software calculates the Energy Yield of single and multi-junction solar cells. It consists of individual modules taking care of deriving realistic irradiance data, fast optical and electrical simulations, and derivation of the hourly resolved energy yield.

    Language:MATLAB15204

  • rwst/yaccl

    yet another ChemClassifier (Python based on wikibase-cli and rdkit)

    Language:Python7481

  • cmelab/grits

    A toolkit for working with coarse-grain systems

    Language:Python52209

  • tmiraglio/SUREHYP

    This package was designed to obtain desmiled, destriped and georeferenced reflectance images from Hyperion imagery.

    Language:Python3202

  • trevorgokey/besmarts

    A toolkit for data-driven force field design based on binary-encoded SMARTS

    Language:Python3212

  • iavtamvan/T-SMART

    Language:Java110