HF RL Explorer

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…

Part of zjunlp/SkillNet-Gym.