OnionNet-SFCT
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zhenglz
Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
Hello! It's great to hear that your model is trained based on crystal RMSD, which theoretically should perform very well on the docking power level. I'm curious if this method...
Hi Liangzhen, I noticed in the score.py file, there is an argument for Number of CPUs "--ncpus". What value should I put here to make the program use all available...
Hello, I am really interested in your work and want to reproduce it. However, I can't find the dataset. Though the redocking protocol is mentioned in the paper, it takes...
Hello, I can't find the training code, how can I train my own data?
After following the steps, encounter such problems ,but my open Babel works normally. Open Babel Error in OpenBabel::OBConversion::FullConvert Cannot write to /tmp/ligand_4bc92b6875f345d1b386b35e956ea202.mol2 Thanks a lot！
