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Connor Coley's Projects

chemprop icon chemprop

Message Passing Neural Networks for Molecule Property Prediction

frog2 icon frog2

2D/3D generation for small compounds

nips17-rexgen icon nips17-rexgen

Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network

ord-data icon ord-data

Official data repository for the Open Reaction Database

ord-editor icon ord-editor

A web app for browsing, modifying, and creating submissions to the Open Reaction Database

rdchiral icon rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling

rdkit icon rdkit

The official sources for the RDKit library

retrotemp icon retrotemp

Retrosynthesis by template prediction (a la Segler and Waller)

rmg-py icon rmg-py

Python version of the amazing Reaction Mechanism Generator (RMG).

robotevo icon robotevo

Generates Freedom EVOware scripts for the Freedom EVO universal pipetting robot from TECAN. It provides new layers of abstraction to offer a higher level programing model that allows a more direct programing of the steps needed in a typical biochemical/biological pipetting protocol like RNA extraction.

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