Nicolás Gajardo-Parra's starred repositories
MolecularNodes
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
curso-python-cientifico
Curso de Python orientado a estudiantes de ciencias e ingeniería, profesores, investigadores e ingenieros
awesome-chemical-engineering-education
A curated list of online chemical engineering education resources
torchmd-protein-thermodynamics
Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics
masterproef
My master thesis for the MSc. in Photonics engineering at Ghent University
Chemical-Reaction-Engineering-in-Python
This repository contains a practical course designed for chemical engineers that want to learn how to solve exercises and program in Python. The course will cover various topics, such as basic Python syntax, data structures, solving ODEs, stoichiometry, data visualization and basic data analysis.
data_science_course
Introduction to data science (for not yet scientists)
AI-for-Chemical-Engineers
This is a practical course designed for chemical engineers that want to learn the basics of AI. The course is very practical and will cover various topics, such as basic Python syntax, data visualization, machine learning and deep learning models, natural language processing, image processing and explainability.
Native-contacts-determination-from-MD
We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU approach (http://pomalab.ippt.pan.pl/GoContactMap/).
biosimspace_tutorials
A tutorials suite for BioSimSpace.
pdb2entropy
Entropy from PDB conformational ensembles
frugal-typst
A collection of templates for Typst
julia_for_molecular_dynamics
My progress in programming in Julia for Molecular Dynamics (a subject in the University)
typst_templates
Repository of self-made typst templates
chemistry-notebooks
Jupyter notebooks for chemists
kirkwood-buff
Jupyter Notebook examples of Kirkwood-Buff integrals
openff-evaluator-publication
The scripts, inputs, and results generated for the OpenFF Evaluator publication.
faunus-notebooks
Examples of Faunus running in Jupyter Notebooks
Kirkwood-buff-theory
This repository consists of python module to calculate preferential interaction coefficient using KB integral approach
SI-Lipase-Structure-Factors
Supporting information for Anisotropic Protein-Protein Interactions in Dilute and Concentrated Solutions