Klab-Bioinfo-Tools / GLM-Score

A set of empirical scoring functions for predicting Receptor-Ligand binding affinities (in pKd units): protein-DNA/RNA, protein-small molecule, and protein-protein complexes. Each scoring function was built using generalized linear models (GLMs) applied to specific and curated data sets.
GNU General Public License v2.0
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[ Update ] GLM-Score / asa.py #3

Closed jcleydsonsilva closed 1 year ago

jcleydsonsilva commented 1 year ago

I worked at GLM-Score_0.15.2.cpp today and just made indentation the code to reads. The code reduced 10.300 to 3933. Also, I compiled the code as well. Also, the asa.py was write to python 2.7, it's was necessary change some function to python 3.7. 03/07/23 Cleydson