Leticia Madureira

QuantumFoca.jl. A repository for calculating Molecular Integrals, based on O-ohata method (1966) and Macmurchie-Davidson (1971)

Introduction.jl. Jupyter Notebook

Leticia-maria. Config files for my GitHub profile.

LearningRust-youtube. This is the repository with the tutorials of Learning Rust series in @Leticia-maria Youtube channel

MathCase. This is a repository for MathCase notation for naming variables taken from math equations.

RIIA_workshop. Using Julia language to perform atomic and molecular simulations

IsAvailable.jl. A Julia version of isavailable.py package of @schneiderfelipe, to check which packages are available to be installed with Pkg.jl

OpenSMILES.jl. OpenSMILES parser in Julia

paper-track.rs. A Terminal web searcher for scientists

tutorials. This is the official repository for the YouTube channel "julia for talented amateurs".

QVAE. Python

synthetic_accessibility_project. Project files for synthetic accessibility project.

TTs.jl. TTs is from Terminal Tools written in Julia

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

Divinity.jl. A package to manipulate different files extensions for data interpretation

OverreactData.jl.

JuliaFormatter.jl. An opinionated code formatter for Julia. Plot twist - the opinion is your own.

Factorial2.jl. Julia

molecular-representation-with-Julia. Jupyter Notebook

Reactive.jl. Reactive programming primitives for Julia

javascript. GitBook teaching programming basics with Javascript

GtkReactive.jl. Combining Reactive.jl with the Gtk toolkit

BeatIt.jl. A repository based on automatic chemical design :clap: :woman_technologist: → Under construction :wrench: :nut_and_bolt: :gear:

PlotsExamples.jl. A repository for plots examples in Julia Language

SHMO.jl. Julia

transformers. 🤗 Transformers: State-of-the-art Machine Learning for Pytorch, TensorFlow, and JAX.

QuantumPortal. SCSS

Undergrad_thesis_slides. This repository has the html code of my Undergrad Thesis slides. (I did it with Genially)

DistributionsAD.jl. Automatic differentiation of Distributions using Tracker, Zygote, ForwardDiff and ReverseDiff

MolecularGraph.jl_notebook. Notebook tutorials for MolecularGraph.jl

LearnHartreeFock.jl. Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.

WordCloud.jl. word cloud generator in julia

llm-security. New ways of breaking app-integrated LLMs

undergrad-thesis. TeX

beautiful-atoms. Python module for drawing and rendering beautiful atoms and molecules using Blender.

heom-lab. A Matlab implementation of the Hierarchical Equations of Motion (HEOM) method for modelling open system quantum dynamics.

Counts.jl. A metacounter in Julia

pytorchTutorial. PyTorch Tutorials from my YouTube channel

Twitter.jl. Julia package to access Twitter API

patterns.jl. Object-oriented design pattern examples in Julia.

Links.

www.juliacon.org. https://juliacon.org/

QUIP. libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org

nanoGPT. The simplest, fastest repository for training/finetuning medium-sized GPTs.

Gtk.jl. Julia interface to Gtk windowing toolkit.

genie-webapp. JavaScript

PDDL.jl. Julia parser, interpreter and compiler interface for the Planning Domain Definition Language (PDDL). Planners not included.

deepchem. Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

ciencia-da-computacao. 🎓 Um caminho para a educação autodidata em Ciência da Computação!

DECIMER-Image-to-SMILES. The repository contains the network and the related scripts for encoder-decoder based Chemical Image Recognition

mbuild. A hierarchical, component based molecule builder

developerFolio. 🚀 Software Developer Portfolio Template that helps you showcase your work and skills as a software developer.