Leticia-maria
Computational Chemist. Developing good software for Quantum Algorithms in Julia. PhD student at Carnegie Mellon University.
@JuliaChemicalReactions, @HartreeFocaPittsburgh, Pennsylvania, US
Pinned Repositories
BasisSets.jl
Package to parse Basis Sets from Basis Set Exchange API
OohataHuzinaga.jl
Introduction.jl
IsAvailable.jl
A Julia version of isavailable.py package of @schneiderfelipe, to check which packages are available to be installed with Pkg.jl
LearningRust-youtube
This is the repository with the tutorials of Learning Rust series in @Leticia-maria Youtube channel
Leticia-maria
Config files for my GitHub profile.
MathCase
This is a repository for MathCase notation for naming variables taken from math equations.
OpenSMILES.jl
OpenSMILES parser in Julia
QuantumFoca.jl
A repository for calculating Molecular Integrals, based on O-ohata method (1966) and Macmurchie-Davidson (1971)
RIIA_workshop
Using Julia language to perform atomic and molecular simulations
Leticia-maria's Repositories
Leticia-maria/Gtk.jl-1
Julia package mirror.
Leticia-maria/JuLIP.jl
Julia package mirror.
Leticia-maria/ChemicalKinetics.jl
Simulation, Bayesian inference and Bayesian model selection for chemical kinetics in Julia
Leticia-maria/keras-molecules
Autoencoder network for learning a continuous representation of molecular structures.
Leticia-maria/machine-learning
Programming Assignments and Lectures for Andrew Ng's "Machine Learning" Coursera course
Leticia-maria/phdthesis
phd thesis document source
Leticia-maria/PySCF_Tutorial
Leticia-maria/TUCKEL
This repository contains TUCKEL an implementation of extended Hückel molecular orbital theory (EHMO)