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mordred-descriptor / mordred

a molecular descriptor calculator
http://mordred-descriptor.github.io/documentation/master/
BSD 3-Clause "New" or "Revised" License
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global configuration #72

Closed philopon closed 5 years ago

philopon commented 5 years ago

Summary

title

rel: #66

Pseudo code

calc = Calculator(descriptors, config={'timeout': 60, 'fill_na': True})
calc = Calculator(descriptors)
calc.config(timeout=60, fill_na=True)
philopon commented 5 years ago

done (97548adf6959610f3150f8fed843af1f9b74c36b, ced4efc6b5d5febaac9b4efe3400193cf79b5837)