Pinned Repositories
aizynthfinder
A tool for retrosynthetic planning
ASKCOS
Software package for computer aided synthesis planning
askcos-core
Python package for the ASKCOS platform for prediction of chemical reactivity
askcos-data
Data and model repository for the ASKCOS application
askcos-deploy
Deployment scripts and utilities for the ASKCOS web application
askcos-site
Web application for the ASKCOS platform for prediction of chemical reactivity
college_football_machine_learning
Predicting the outcomes of college football games
rdkit-tutorials
Tutorials to learn how to work with the RDKit
site_selectivity
Multitask prediction model for aromatic CH functionalization reactions
thomasstruble's Repositories
thomasstruble/site_selectivity
Multitask prediction model for aromatic CH functionalization reactions
thomasstruble/rdkit-tutorials
Tutorials to learn how to work with the RDKit
thomasstruble/aizynthfinder
A tool for retrosynthetic planning
thomasstruble/ASKCOS
Software package for computer aided synthesis planning
thomasstruble/askcos-core
Python package for the ASKCOS platform for prediction of chemical reactivity
thomasstruble/askcos-data
Data and model repository for the ASKCOS application
thomasstruble/askcos-deploy
Deployment scripts and utilities for the ASKCOS web application
thomasstruble/askcos-site
Web application for the ASKCOS platform for prediction of chemical reactivity
thomasstruble/college_football_machine_learning
Predicting the outcomes of college football games
thomasstruble/descriptastorus
Descriptor computation(chemistry) and (optional) storage for machine learning
thomasstruble/free-wilson-streamlit
Streamlit app for free wilson
thomasstruble/im2latex-tensorflow
Tensorflow implementation of the HarvardNLP paper - What You Get Is What You See: A Visual Markup Decompiler (https://arxiv.org/pdf/1609.04938v1.pdf)
thomasstruble/ipython-notebooks
A collection of IPython notebooks covering various topics.
thomasstruble/jdat_notebooks
JWST Data Analysis Tools Notebooks
thomasstruble/jwst
Python library for science observations from the James Webb Space Telescope
thomasstruble/Notebooks
thomasstruble/rdchiral
Wrapper for RDKit's RunReactants to improve stereochemistry handling
thomasstruble/udlbook
Understanding Deep Learning - Simon J.D. Prince