Mirac Aydin
Mirac Aydin
Hello, I am willing to calculate interaction energy with using TorchANI. In the article below, interaction energy was calculated by ANI-2x: https://par.nsf.gov/servlets/purl/10198965 But when I tried to use ANI-2X, it...
Dear All, I would like to run ALIGNN on multi GPUs. When I checked the code I could not find any option. Is there any method to run ALIGNN on...
Dear All, I train ALIGNN with cif files. To improve the performance, I tried to augment my cif files with AugLiChem library. Here is the snippet from the original file...
Dear All, I am using ALIGNN model to train OMDB dataset and trying to improve results by adjusting hyperparameters. But I have not achieved good results yet (one of the...