Goodman-lab / DP5

Python workflow for DP5 and DP4 analysis of organic molecules
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ConfPrune numpyfication #90

Closed ruslankotl closed 4 months ago

ruslankotl commented 1 year ago

ConfPrune routine is now modernised, rewritten to use NumPy arrays instead of Cython, and documented.

Reasons for change: