Sometimes we wanna have groups of structures, where we weight some configurations higher than others in the loss function.
Another step further when training to forces is to give weights that are inversely proportional to force magnitude. Sometimes the zero force configurations are very important for stabilizing weird structures.
Sometimes we wanna have groups of structures, where we weight some configurations higher than others in the loss function.
Another step further when training to forces is to give weights that are inversely proportional to force magnitude. Sometimes the zero force configurations are very important for stabilizing weird structures.
Happy to help and test things out!