faribas/Species-dictionary
This repository contains some scripts to convert species in bond connectivity format into the SMILEs string with an image of each species. List of species in text format are from RMG generated mechanism.
RMG-built models for bio-oil gasification in both java and python versions are stored in this repository. So far, all models are incomplete due to the memory issues!
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This repository contains some scripts to convert species in bond connectivity format into the SMILEs string with an image of each species. List of species in text format are from RMG generated mechanism.
The Java version of RMG: Reaction Mechanism Generator
A Python wrapper for the DASSL, DASPK, and DASKR differential algebraic system solvers
The database of chemical parameters used with Reaction Mechanism Generator