Reinforcement Learning, Evolutionary Algorithms, Biophysics, Drug Discovery, Biology.
https://linkinghub.elsevier.com/retrieve/pii/S1476927116300214) Bjerrum params: [-0.0460161, -0.000384274, -0.00812176, -0.431416, 0.366584, 0.0] This experiment demonstrates an interesting way to pursue docking optimization, albeit with limited data. There’s a lot more that could be added: