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moldis-group

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Registered over 4 years ago
Most used languages

SCSS 50.0 %

DIGITAL Command Language 16.7 %

Python
16.7 %

Jupyter Notebook
16.7 %
Location 🇮🇳 India
Country Total Rank 38,898
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DIGITAL Command Language 5

SCSS 198

si_intraionpair

Contains supplementary data for our study on intramolecular ion pair interactions.

DIGITAL Command Language

BODIPYs

pymoldis

pymoldis: A Python suite for Molecular Discovery using Quantum Chemistry Big Data

Jupyter Notebook

qm9nmr

SI page for Revving up 13C NMR shielding predictions across chemical space: benchmarks for atoms-in-molecules kernel machine learning with new data for 134 kilo molecules

curatedQM9

curated QM9 dataset

pople

Content for the site https://moldis-group.github.io/pople/