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pnnl / isicle

In silico chemical library engine for high-accuracy chemical property prediction
BSD 3-Clause "New" or "Revised" License
58 stars 19 forks source link

import syntax for openbabel 3.0 #2

Closed FelicityN closed 4 years ago

FelicityN commented 4 years ago

Open babel 3.0 breaks in amber. Closing until a workout is found.