This repository is intended to store shared data and software related to the LTEF chemistry project. The directory structure is preliminary and subject to revision.

0.1

• reactions: raw and processed reaction files (mrv, rxn)
• functional_groups: Yomna's selection of functional groups which should cover all FG that occur in the 1st year chemistry curriculum. (smarts/smiles/mol)
• literature: articles, datasheets, etc.
• andrea_macro: PDDL code for the macro approach

GPL