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  • roshan2004.github.io Public

    JavaScript MIT License Updated Feb 6, 2025

  • academicpages.github.io Public template

    Forked from academicpages/academicpages.github.io

    Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

    JavaScript MIT License Updated Feb 2, 2025

  • data_for_M3CNMs Public

    Data material for Martini 3 coarse-grained models for carbon nanomaterials

    Updated Jan 12, 2025

  • roshan2004 Public

    Updated Dec 23, 2024

  • ML_small_molecules Public

    Predicting solubility with Machine Learning for small molecules

    Updated Dec 11, 2024

  • Data-Fitting Public

    Practicing fitting data

    Jupyter Notebook Updated Dec 10, 2024

  • programs Public

    My programs for Computational Physics

    Python Updated Dec 8, 2024

  • hpc-guide Public

    HPC Guide

    Updated Sep 6, 2024

  • bash_in_easy_steps Public

    Bash in Easy Steps by Mike McGrath

    Shell 1 Updated May 13, 2024

  • OPLS_AA_solvents Public

    OPLSS/AA parameters for solvents

    Updated Apr 28, 2023

  • Model Public

    Jupyter Notebook Updated Feb 1, 2023

  • scripts Public

    Python Updated Jan 13, 2023

  • Hexagonal_model Public

    Jupyter Notebook Updated Jan 9, 2023

  • Permeability_calculations Public

    Permeability calculations from the pmfs, and diffusion coeffcients

    Jupyter Notebook Updated Dec 22, 2022

  • grapheneM Public

    Updated Sep 2, 2022

  • G_poetry Public

    Updated Jul 28, 2022

  • ITP_builder Public

    ITP builder for Nanomaterial

    Jupyter Notebook Updated Apr 11, 2022

  • itp_graphene Public

    Updated Feb 23, 2022

  • cplusplus Public

    Codecademy course on C++

    Jupyter Notebook Updated Jan 4, 2022

  • Building-Models Public

    Building AA/CG models for nanomaterials

    Python Updated Dec 16, 2021

  • GO_atomistic Public

    AA simulations of GO

    Jupyter Notebook Updated Dec 6, 2021

  • python-workshop Public

    Tutorials I delivered during the workshop

    Jupyter Notebook Updated Jun 26, 2021

  • ipywidgets Public

    Doing cool science presentations with ipywidgets

    Jupyter Notebook 1 Updated Jun 14, 2021

  • Learn-JavaScript Public

    Codecademy's course on Learning JavaScript

    JavaScript Updated Jun 14, 2021

  • cms_python_scripting_workshop Public

    A repository for the MolSSI Python Data and Scripting Workshop

    Jupyter Notebook Updated Jun 10, 2021

  • Random-Walk Public

    Jupyter Notebook Updated Jun 10, 2021

  • Building-a-bash-script Public

    Shell Updated Jun 6, 2021

  • xvg_converter Public

    Converts xmgrace XVG file format into various file formats for data analysis

    Python Updated May 25, 2021

  • Practice Public

    Advanced Python Practice

    Jupyter Notebook Updated May 20, 2021

  • Molecule3D Public

    3D Representation of a molecule of various formats

    Jupyter Notebook 1 Updated May 19, 2021