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/best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
roshan2004/bash_in_easy_steps
Bash in Easy Steps by Mike McGrath
roshan2004/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.
roshan2004/learn-cpp
Codecademy | Learn C++
roshan2004/making-it-rain
Cloud-based molecular simulations for everyone
roshan2004/ML-For-Beginners
12 weeks, 26 lessons, 52 quizzes, classic Machine Learning for all
roshan2004/SciencePlots
Matplotlib styles for scientific plotting
roshan2004/stat_rethinking_2024
roshan2004/the-art-of-command-line
Master the command line, in one page
roshan2004/3rd_workshop_advanced_sampling
Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling
roshan2004/acs-2023-notebooks-filled
roshan2004/advanced_sampling_tutorials
A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling methods using GROMACS
roshan2004/docs
Codecademy Docs is a collection of information for all things code. 📕
roshan2004/DoE_Course_Material
Notebooks for workshops of DoE course, hosted by the Computational Materials Chemistry group at Uppsala University
roshan2004/escip.github.io
ESCIP website
roshan2004/HierGO
A hierarchical approach of generating MD simulation-ready tiled graphene oxide stacks
roshan2004/hpc-guide
HPC Guide
roshan2004/iqb-crash-course-2023
roshan2004/jobengine
Manage MD simulations across multiple computing clusters
roshan2004/learning-cpp-4489005
This repo is for the Linkedin Learning course: Learning C++
roshan2004/MDAPackmol
MDAnalysis wrapper around Packmol
roshan2004/MemCurv
This Python code calculates the mean curvature of a flat bilayer membrane. To learn how to use it, refer to the comments in the file.
roshan2004/MTG-Math
A collection of calculations for the game Magic: the Gathering
roshan2004/openmm_workshop
roshan2004/openmm_workshop_july2023
roshan2004/openmmtools
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
roshan2004/OPLS_AA_solvents
OPLSS/AA parameters for solvents
roshan2004/Python
All Algorithms implemented in Python
roshan2004/python-mastery
Advanced Python Mastery (course by @dabeaz)
roshan2004/sciris
Fast, flexible tools to simplify scientific Python