Roshan Shrestha's repositories
learn-julia-the-hard-way
Learn Julia the hard way!
useful_code
useful codes
rdkit-tutorials
Tutorials to learn how to work with the RDKit
python-package-best-practices
http://education.molssi.org/python-package-best-practices/
BestPractices
Things that you should (and should not) do in your Materials Informatics research.
lammps-tutorials
LAMMPS tutorials for Beginners
buckle-bending-modulus
Calculation of bending modulus of membranes from Molecular Dynamics Simulations
highp-ch
Data repository for the paper "Diamond formation from hydrocarbon mixtures in planets"
ibm3202
Google Colab Tutorials for IBM3202
3DScience
MIT 20.S947 course on 3D scientific rendering
CompPhysics
Computational Physics codes
fastplotlib
A fast plotting library
skunk
Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.
Permeability_calculations
Permeability calculations from the pmfs, and diffusion coeffcients
cgbuilder
Automated structure, and topology builder
oxcompbio-python
Python materials for the Oxford Computational Biology graduate course
cg2at
Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)
mcmd_summer_2022
Repository for material from the 2020 MC/MD Summer Workshop
better_poster_latex
The Latex version of Mike Morrison's "better poster" template
gemini_penn
gemini_penn is an (unofficial) fork of the Gemini beamerposter theme with the University of Pennsylvania logo, colors, and fonts
ModSimPy
Text and supporting code for Modeling and Simulation in Python
machine-learning
:earth_americas: machine learning tutorials (mainly in Python3)
boltzmann_generators
A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Boulder
cphy
Class materials for computational physics course
scientific-python-lectures
Lectures on scientific computing with python, as IPython notebooks.