Transition-based reweighting and neural rational inference analysis of effects of new psychoactive substances on cannabinoid receptors

This repository contains all the scripts and links (box folder) for the necessay files to genarate figures in the manuscript.

Main_Figure_3

• Main_Figure_3A.py: script for generating scatter plot shown in Main Figure 3A.
• Main_Figure_3C.py: script for generating scatter plot shown in Main Figure 3C.
• Links for necessary files to generate figures : https://uofi.box.com/s/y3sqrzwmo6v740itoy1qs649uurud865

Main_Figure_4

• Main_Figure_4A.py: script for generating bar plot shown in Main Figure 4A.
• Main_Figure_4B.py: script for generating box plot shown in Main Figure 4B.
• Main_Figure_4C.py: script for generating box plot shown in Main Figure 4C.
• Main_Figure_4D.py: script for generating box plot shown in Main Figure 4D.
• Links for necessary files to generate figures : https://uofi.box.com/s/4lxxdwpj6rf1tcka9yort729lsoww19b

Main_Figure_5

• Main_Figure_5A.py: script for generating contour free energy plot shown in Main Figure 5A.
• Main_Figure_5B.py: script for generating contour free energy plot shown in Main Figure 5B.
• Links for necessary files to generate figures : https://uofi.box.com/s/i6kjcozct79j4brsmmt5htpvq68i33ri

Main_Figure_6

• Main_Figure_6A.py: script for generating heatmap shown in Main Figure 6A.
• Main_Figure_6B.py: script for calculating MFPT from TPT shown in Main Figure 6B.
• Main_Figure_6C.py: script for calculating K-L divergence shown in Main Figure 6C.
• Links for necessary files to generate figures : https://uofi.box.com/s/nibqvi0spcd4dfs2q6tybhmg5tyb0g4s

Main_Figure_7

• Main_Figure_7A.py: script for generating heatmap shown in Main Figure 7A.
• Main_Figure_7B.py: script for calculating MFPT from TPT shown in Main Figure 7B.
• Main_Figure_7C.py: script for calculating K-L divergence shown in Main Figure 7C.
• Links for necessary files to generate figures : https://uofi.box.com/s/vn85ycljd3k5tn91rv08jhcg8ra897dr

Main_Figure_8

• Main_Figure_8A.py: script for generating bar plot shown in Main Figure 8A.
• Main_Figure_8B.py: script for generating probability density plot shown in Main Figure 8B.
• Links for necessary files to generate figures : https://uofi.box.com/s/4ruu5vd4ghlpkqh7wcqj96ngc84wbp5b