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/LearningRust-youtube
This is the repository with the tutorials of Learning Rust series in @Leticia-maria Youtube channel
Leticia-maria/TTs.jl
TTs is from Terminal Tools written in Julia
Leticia-maria/Divinity.jl
A package to manipulate different files extensions for data interpretation
Leticia-maria/BeatIt.jl
A repository based on automatic chemical design :clap: :woman_technologist: → Under construction :wrench: :nut_and_bolt: :gear:
Leticia-maria/WordCloud.jl
word cloud generator in julia
Leticia-maria/awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
Leticia-maria/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Leticia-maria/Gtk.jl
Julia interface to Gtk windowing toolkit.
Leticia-maria/mbuild
A hierarchical, component based molecule builder
Leticia-maria/MLJModelInterface.jl
Lightweight package to interface with MLJ
Leticia-maria/nlp_course
YSDA course in Natural Language Processing
Leticia-maria/Olympus-Dockerfile
Leticia-maria/xSEDE_Infra
A repository with further information of xSEDE usage
Leticia-maria/10-Julia-Projects-for-Beginners
Leticia-maria/BioStructures.jl
A Julia package to read, write and manipulate macromolecular structures (particularly proteins)
Leticia-maria/Chemfiles.jl
Julia bindings to chemfiles
Leticia-maria/DataFrames.jl
In-memory tabular data in Julia
Leticia-maria/greenlet
Lightweight in-process concurrent programming
Leticia-maria/Interact.jl
Interactive widgets to play with your Julia code
Leticia-maria/joss
The Journal of Open Source Software
Leticia-maria/leetcode-rust
leetcode in Rust for study
Leticia-maria/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Leticia-maria/Navaneeth-Sharma
My Repo
Leticia-maria/nushell
A new type of shell
Leticia-maria/papers-we-love
Papers from the computer science community to read and discuss.
Leticia-maria/PubChemPy
Python wrapper for the PubChem PUG REST API.
Leticia-maria/PyGithub
Typed interactions with the GitHub API v3
Leticia-maria/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Leticia-maria/syohex
My profile
Leticia-maria/Wasmer.jl
A Julia wrapper for the wasmer runtime