atoms-in-molecules

There are 7 repositories under atoms-in-molecules topic.

  • theochem/chemtools

    A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.

    Language:Python5010722

  • arpitnarechania/d3-molecule

    D3 based interactive visualization library + tool to make render atoms and molecules learning chemical bonding in a fun way.

    Language:HTML435216
  • cliptoe

    thunderpoot/cliptoe

    Command Line Interactive Periodic Table of Elements in multiple languages

    Language:BASIC17200

  • duboviy/pymolecule

    :atom: Molecular viewer [Work in progress]

    Language:Python9203

  • theochem/cuGBasis

    High performance CUDA/Python library for computing quantum chemistry density-based descriptors for larger systems using GPUs.

    Language:Cuda6553

  • Bocchio01/056921-Sperimentazione-e-Analisi-dei-Dati

    056921 Sperimentazione e Analisi dei Dati, A.Y. 2022/23, @Politecnico_di_Milano

    Language:MATLAB00

  • srk/compchemtools

    Utilities for manipulation/translation of input/output formats of quantum-mechanics based electronic structure codes

    Language:Python0201