Jonathan Zheng's repositories
chemprop
Message Passing Neural Networks for Molecule Property Prediction
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Dissociation-Constants-2
This repository includes pKa data digitized and curated from reference books published by IUPAC.
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percolation_simulator
Percolation simulator created for 10.40 (grad ChemE thermo @ MIT) in joint collaboration with Alex Cohen. Simulates egg cooking thermodynamics with percoloation theory.
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rdkit
The official sources for the RDKit library
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RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
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RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
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RMG-website
A Django-powered website for Reaction Mechanism Generator (RMG)
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