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academic-website-templates

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

amber_gamd_scripts

Gaussian Accelerated MD scripts

amber_molecular-dynamics-tutorial

A tutorial on how to prepare and run a system using the Amber software.

ambermoleculardynamics

biochemcore-2018

Biology and Chemistry Computational Research

bioicons

A library of free open source icons for science illustrations in biology and chemistry

data-science-books-

Books for Data Science

dd-course

This repository contains all the course materials that are used in the "Chemo-informatics and computational drug design" course teaches at the University of Antwerp (Belgium)

dl-in-compbio

A curated list of awesome deep learning applications in the field of computational biology

gromacs-gamd

Gaussian Accelerated Molecular Dynamics Implementation in Gromacs

latex-templates

Templates for various projects using LaTeX

md-analysis-workflow

A Snakemake workflow for analyzing AMBER molecular dynamics simulations.

ml-study-guide

Minimal Machine Learning Study Plan

mldl-md-dynamics

A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.

molecular_dynamics

The scripts here describe the process of producing a 100 ns Molecular Dynamics Simulation, the trajectory analysis and the calculations with the MMGBSA and MMPBSA methods. The scripts are writen for the AMBER suit.

pandas

Data & Code for my video on the Pandas library of Python

prody

Example of using Python Package ProDy which allows the study of protein structural dynamics, ie. bond energies and folding properties.

prody-1

A Python Package for Protein Dynamics Analysis

research-scripts

Different run and analysis scripts as described in the research guides.

survey_ai_drug_discovery

teachopencadd

TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

unt-dissertation-template

An updated version of the UNT dissertation template that fixes bookmarks and style issues.

vim-cpptraj

Syntax highlighting for AMBER's cpptraj.