Luis Ruiz-Santiago's repositories
autodE
automated reaction profile generation
Awesome-Profile-README-templates
A collection of awesome readme templates to display on your profile
awesome-public-datasets
A topic-centric list of HQ open datasets.
awesome-python-chemistry
A curated list of Python packages related to chemistry
biopandas
Working with molecular structures in pandas DataFrames
Capstone-1-Excel-Module
HR Profitability Model for Lariat Car Rental Company as part of Thinkful Data Analytics program requirements
CGRtools
CGRs, molecules and reactions manipulation
dask-tutorial
Dask tutorial
data-201-resources
Public resources related to Thinkful's data science bootcamp
data-2C-beyond-the-limit-usa
The Washington Post's analysis of NOAA climate change data for the contiguous United States
Data-Science--Cheat-Sheet
Cheat Sheets
django-cheat-sheet
A cheat sheet for creating web apps with the Django framework.
Django-Website
A very minimal website I build while learning Django.
emoji-cheat-sheet
A markdown version emoji cheat sheet
free-programming-books
:books: Freely available programming books
GoodVibes
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
keras
Deep Learning for humans
materials
Bonus materials, exercises, and example projects for our Python tutorials
opencadd
A Python library for structural cheminformatics
perses
Experiments with expanded ensembles to explore chemical space
Python
Python Tutorials
Python-Checkers-AI
A checkers AI using the minimax algorithm.
rmsd
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
slides
Presentations for programming courses
software-development
A primer on software development best practices for computational chemistry
spark-nlp-workshop
Public runnable examples of using John Snow Labs' NLP for Apache Spark.
WordCloud_Project
This is a Final Project for the Crash Course on Python course as part of the Google IT Automation with Python Specialization