The nequip-evaluate command can be used to evaluate a trained model on a specified dataset, optionally computing error metrics or writing the results to an XYZ ... Pair_nequip repository · Issues 22 · Pull requests · Activity |
4 мая 2022 г. · This work presents Neural Equivariant Interatomic Potentials (NequIP), an E(3)-equivariant neural network approach for learning interatomic potentials. |
Nequip and Allegro . This Colab tutorial illustrates how to train an equivariant neural network interatomic potential for bulk water using the Allegro ... |
Released: Jul 9, 2024 NequIP is an open-source code for building E(3)-equivariant interatomic potentials. |
NequIP (Neural Equivariant Interatomic Potentials) is the original equivariant message-passing graph neural network model for force fields. |
This is an introduction to the NequIP code. It will cover: In particular, we will build a model that predicts potential energy and obtains forces via backprop. |
8 янв. 2021 г. · This work presents Neural Equivariant Interatomic Potentials (NequIP), an E(3)-equivariant neural network approach for learning interatomic potentials. |
Novbeti > |
Axtarisha Qayit Anarim.Az Anarim.Az Sayt Rehberliyi ile Elaqe Saytdan Istifade Qaydalari Anarim.Az 2004-2023 |