We've heard from the authors of TensorMol (who also were inspired by the fantastic work done by you guys), that training to the force in addition to the total energy can improve accuracy. Do you guys by chance still have the force vectors from gaussian that could be included to the dataset?
Jussmith01
commented
6 years ago
Hi guys,
We've heard from the authors of TensorMol (who also were inspired by the fantastic work done by you guys), that training to the force in addition to the total energy can improve accuracy. Do you guys by chance still have the force vectors from gaussian that could be included to the dataset?