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2019-08-10-python-course

Python Programming Crash Course - Saturday 10th of August 10am - 4pm

3dscience

MIT 20.S947 course on 3D scientific rendering

3rd_workshop_advanced_sampling

Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling

6th_workshop_advanced_sampling

a-primer-on-scientific-programming-with-python

Solutions to exercises of A primer on Scientific Programming With Python by Hans Petter Langtangen

ab-initio-thermodynamics-of-water

“Ab initio thermodynamics of liquid and solid water” Bingqing Cheng, Edgar A. Engel, JÖrg Behler, Christoph Dellago and Michele Ceriotti

academicpages.github.io

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

acs-2023-notebooks-filled

advanced_latex_workshop

Workshop on Itermediate and advanced topics in LaTeX

advanced_sampling_tutorials

A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling methods using GROMACS

advancedstatmechassignments

Input files and scripts for simulations in a course in Advanced Statistical Thermodynamics

ai_in_medicine

alchemical-analysis

An open tool implementing some recommended practices for analyzing alchemical free energy calculations

ambermdprep

Wrapper script for preparing explicitly solvated systems for molecular dynamics simulations with Amber.

app-ideas

A Collection of application ideas which can be used to improve your coding skills.

articles

A repository for the source code, notebooks, data, files, and other assets used in the data science and machine learning articles on LearnDataSci

asu-phy494

Class web pages for Spring 2017 ASU PHY494 Computational Methods in Physics.

awesome-bayesian-optimization

awesome-cheatsheets

👩‍💻👨‍💻 Awesome cheatsheets for popular programming languages, frameworks and development tools. They include everything you should know in one single file.

awesome-cpp

A curated list of awesome C++ (or C) frameworks, libraries, resources, and shiny things. Inspired by awesome-... stuff.

awesome-latex

Curated list of LaTeX awesomeness

bash

DataCamp - Introduction to Bash Scripting

best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

bestpractices

Things that you should (and should not) do in your Materials Informatics research.

better_poster_latex

The Latex version of Mike Morrison's "better poster" template

bioactivity-prediction-app

biobb_hpc_workflows

biobb_wf_md_setup

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).

biobb_workflows

BioExcel building blocks tutorials

bioinformatics_freecodecamp