nec4

Results 3 issues of nec4

Hello - Thanks for developing and maintaining the tools. I realize from experience this is a vague question, but are there certain architectural/hyperparameter considerations to take into account when training...

Hello all, Very happy with the tools - thank you for maintaining them and integrating with LAMMPS. I am running some vacuum simulations and while increasing the number of GPUs...

bug

Hello all, Thanks for the great tools. I have used OpenMM briefly in the past but wanted to install it for use now on some Intel GPU Max 1550s (The...