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.
Python version of the amazing Reaction Mechanism Generator (RMG).
This repository is cataloged as part of our automated global GitHub synchronization. Full telemetry, velocity snapshots, and code summaries are scheduled for continuous enrichment.
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!
The Java version of RMG: Reaction Mechanism Generator
A Python wrapper for the DASSL, DASPK, and DASKR differential algebraic system solvers