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Create canbenchmark_new()

Open zfalls opened this issue 2 years ago • 0 comments

Created a new benchmarking function called canbenchmark_new() which uses a methodology similar to canpredict_compounds() to assess performance using the classic CANDO metrics (i.e., AIA, APA, and IC), which all are prepended with n to denote the new benchmarking protocol (e.g., nAIA, nAPA, nIC).

zfalls avatar Feb 08 '24 14:02 zfalls