Pinned Repositories
bash_in_easy_steps
Bash in Easy Steps by Mike McGrath
best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
buckle-bending-modulus
Calculation of bending modulus of membranes from Molecular Dynamics Simulations
chatgpt-prompts-for-academic-writing
This list of writing prompts covers a range of topics and tasks, including brainstorming research ideas, improving language and style, conducting literature reviews, and developing research plans.
drug-computing
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
learn-cpp
Codecademy | Learn C++
making-it-rain
Cloud-based molecular simulations for everyone
ML-For-Beginners
12 weeks, 26 lessons, 52 quizzes, classic Machine Learning for all
roshan2004's Repositories
roshan2004/buckle-bending-modulus
Calculation of bending modulus of membranes from Molecular Dynamics Simulations
roshan2004/3DScience
MIT 20.S947 course on 3D scientific rendering
roshan2004/BestPractices
Things that you should (and should not) do in your Materials Informatics research.
roshan2004/better_poster_latex
The Latex version of Mike Morrison's "better poster" template
roshan2004/boltzmann_generators
A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Boulder
roshan2004/cg2at
Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)
roshan2004/cgbuilder
Automated structure, and topology builder
roshan2004/CompPhysics
Computational Physics codes
roshan2004/cphy
Class materials for computational physics course
roshan2004/fastplotlib
A fast plotting library
roshan2004/gemini_penn
gemini_penn is an (unofficial) fork of the Gemini beamerposter theme with the University of Pennsylvania logo, colors, and fonts
roshan2004/Hexagonal_model
roshan2004/highp-ch
Data repository for the paper "Diamond formation from hydrocarbon mixtures in planets"
roshan2004/ibm3202
Google Colab Tutorials for IBM3202
roshan2004/lammps-tutorials
LAMMPS tutorials for Beginners
roshan2004/learn-julia-the-hard-way
Learn Julia the hard way!
roshan2004/machine-learning
:earth_americas: machine learning tutorials (mainly in Python3)
roshan2004/masterclass-21-5
roshan2004/masterclass-plumed
roshan2004/mcmd_summer_2022
Repository for material from the 2020 MC/MD Summer Workshop
roshan2004/Model
roshan2004/ModSimPy
Text and supporting code for Modeling and Simulation in Python
roshan2004/openmm-mdanalysis-reporter
roshan2004/oxcompbio-python
Python materials for the Oxford Computational Biology graduate course
roshan2004/Permeability_calculations
Permeability calculations from the pmfs, and diffusion coeffcients
roshan2004/python-package-best-practices
http://education.molssi.org/python-package-best-practices/
roshan2004/rdkit-tutorials
Tutorials to learn how to work with the RDKit
roshan2004/scripts
roshan2004/skunk
Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.
roshan2004/useful_code
useful codes