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/IsAvailable.jl
A Julia version of isavailable.py package of @schneiderfelipe, to check which packages are available to be installed with Pkg.jl
Leticia-maria/PlotsExamples.jl
A repository for plots examples in Julia Language
Leticia-maria/Cyclodextrins-vKM
Leticia-maria/JuliaOrgLogos
Leticia-maria/orca-linux-deployment
Scripts and instructions for deploying ORCA quantum chemistry program on Linux.
Leticia-maria/overreact
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data
Leticia-maria/overreact-guide
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data
Leticia-maria/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
Leticia-maria/all-contributors
✨ Recognize all contributors, not just the ones who push code ✨
Leticia-maria/anmol098
If you are forking please do not forget to star the repo
Leticia-maria/autodE
automated reaction profile generation
Leticia-maria/DenverCoder1
Jonah Lawrence's Profile README
Leticia-maria/duino-coin
ᕲ Duino-Coin is a coin that can be mined with almost everything, including Arduino boards.
Leticia-maria/elixir
Elixir is a dynamic, functional language designed for building scalable and maintainable applications
Leticia-maria/fastapi
FastAPI framework, high performance, easy to learn, fast to code, ready for production
Leticia-maria/Hecke.jl
Computational algebraic number theory
Leticia-maria/jasineri
Leticia-maria/julia-buildpkg
This action builds a Julia package.
Leticia-maria/julia_logo_latex
Leticia-maria/juliadevbrasil.github.io
Divulgando programação em Julia para brasileiros.
Leticia-maria/MendelIHT.jl
Iterative hard thresholding as a multiple regression model for GWAS
Leticia-maria/nisancigokmen
Leticia-maria/oh-my-git
An opinionated git prompt for bash and zsh
Leticia-maria/OrderedCollections.jl
Julia implementation of associative containers that preserve insertion order
Leticia-maria/Rust
All Algorithms implemented in Rust
Leticia-maria/SymPy.jl
Julia interface to SymPy via PyCall
Leticia-maria/thmsgbrt
My awesome README.md
Leticia-maria/timburgan
Leticia-maria/Torch-TensorRT
PyTorch/TorchScript compiler for NVIDIA GPUs using TensorRT
Leticia-maria/VSCoding-Sequence
VSCode Extension for interactively visualising protein structure data in the editor