Roshan Shrestha's Projects
Python Programming Crash Course - Saturday 10th of August 10am - 4pm
MIT 20.S947 course on 3D scientific rendering
Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling
Solutions to exercises of A primer on Scientific Programming With Python by Hans Petter Langtangen
βAb initio thermodynamics of liquid and solid waterβ Bingqing Cheng, Edgar A. Engel, JΓrg Behler, Christoph Dellago and Michele Ceriotti
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling methods using GROMACS
Input files and scripts for simulations in a course in Advanced Statistical Thermodynamics
An open tool implementing some recommended practices for analyzing alchemical free energy calculations
Wrapper script for preparing explicitly solvated systems for molecular dynamics simulations with Amber.
A Collection of application ideas which can be used to improve your coding skills.
A repository for the source code, notebooks, data, files, and other assets used in the data science and machine learning articles on LearnDataSci
Class web pages for Spring 2017 ASU PHY494 Computational Methods in Physics.
π©βπ»π¨βπ» Awesome cheatsheets for popular programming languages, frameworks and development tools. They include everything you should know in one single file.
A curated list of awesome C++ (or C) frameworks, libraries, resources, and shiny things. Inspired by awesome-... stuff.
Curated list of LaTeX awesomeness
DataCamp - Introduction to Bash Scripting
Bash in Easy Steps by Mike McGrath
π A ranked list of awesome atomistic machine learning projects βοΈπ§¬π.
Things that you should (and should not) do in your Materials Informatics research.
The Latex version of Mike Morrison's "better poster" template
This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb).
BioExcel building blocks tutorials
A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Boulder
Calculation of bending modulus of membranes from Molecular Dynamics Simulations