• HOOMD-TF

  • Referenced in 2 articles [sw40891]
  • HOOMD-TF: This plugin enables the use of TensorFlow in a HOOMD-blue simulation. HOOMD ... blue and TensorFlow are GPU-accelerated, HOOMD-TF was designed with speed in mind ... communication scheme. Of particular interest, HOOMD-TF allows for online machine learning with early termination ... batch learning approach for MD+ML. HOOMD-TF includes several utility functions as convenient built...
  • Python

  • Referenced in 2164 articles [sw14460]
  • Python is a widely used high-level, general...
  • TensorFlow

  • Referenced in 653 articles [sw15170]
  • TensorFlow™ is an open source software library for...
  • OpenMM

  • Referenced in 9 articles [sw19831]
  • OpenMM: A high performance toolkit for molecular simulation...
  • PyTorch

  • Referenced in 440 articles [sw20939]
  • PyTorch python package: Tensors and Dynamic neural networks...
  • TorchANI

  • Referenced in 1 article [sw40217]
  • TorchANI is a PyTorch implementation of ANI, created...
  • Anncolvar

  • Referenced in 1 article [sw40906]
  • Anncolvar: Approximation of Complex Collective Variables by Artificial...