ghutchis/langmuir
Langmuir is a Monte Carlo charge dynamics simulation engine for organic semiconductors, including FETs and solar cells
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
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Langmuir is a Monte Carlo charge dynamics simulation engine for organic semiconductors, including FETs and solar cells
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Parsers and algorithms for computational chemistry logfiles