David Koes Deleted File  about 8 years ago

Commit id: a2d0f5002629012d1f5a08e11bcb3fda8ad881ee

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chemf is a purely functional chemistry toolkit written in Scala, a modern multi-paradigm programming language. Using functional programming in chemistry chemf describes an immutable data structure for molecular graphs together with several simple algorithms to compute basic molecular features for writing a complete SMILES parser according to the OpenSMILES specification \cite{H_ck_2012}.