Load all three provided SDF files ( /root/SDF , /root/SDF 2 , /root/benzene.sdf ) as molecules, standardize…

Load all three provided SDF files ( /root/SDF , /root/SDF 2 , /root/benzene.sdf ) as molecules, standardize…: a task in SkillNet-Gym (Harbor dataset). Then, compute the Morgan fingerprint (radius=2, 2048 bits) Tanimoto similarity between the unique compound and the duplicate compound (use the…

The task

Then, compute the **Morgan fingerprint (radius=2, 2048 bits)** Tanimoto similarity between the *unique* compound and the *duplicate* compound (use the standardized molecules), and save a single JSON report to:

Part of zjunlp/SkillNet-Gym.