Pinned Repositories
chemprop
Message Passing Neural Networks for Molecule Property Prediction
chemprop
Message Passing Neural Networks for Molecule Property Prediction
Dissociation-Constants-2
This repository includes pKa data digitized and curated from reference books published by IUPAC.
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.
QM_descriptors_calculation
rdkit
The official sources for the RDKit library
RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
RMG-website
A Django-powered website for Reaction Mechanism Generator (RMG)
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
jonwzheng's Repositories
jonwzheng/chemprop
Message Passing Neural Networks for Molecule Property Prediction
jonwzheng/Dissociation-Constants-2
This repository includes pKa data digitized and curated from reference books published by IUPAC.
jonwzheng/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.
jonwzheng/QM_descriptors_calculation
jonwzheng/rdkit
The official sources for the RDKit library
jonwzheng/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
jonwzheng/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
jonwzheng/RMG-website
A Django-powered website for Reaction Mechanism Generator (RMG)