thomasstruble Goto Github PK
Name: Thomas Struble
Type: User
Bio: Scientific ML for drug discovery research.
Thomas Struble's Projects
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
descriptastorus
Descriptor computation(chemistry) and (optional) storage for machine learning
free-wilson-streamlit
Streamlit app for free wilson
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)
ipython-notebooks
A collection of IPython notebooks covering various topics.
jdat_notebooks
JWST Data Analysis Tools Notebooks
notebooks
rdchiral
Wrapper for RDKit's RunReactants to improve stereochemistry handling
rdkit-tutorials
Tutorials to learn how to work with the RDKit
site_selectivity
Multitask prediction model for aromatic CH functionalization reactions
udlbook
Understanding Deep Learning - Simon J.D. Prince
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