• HOOMD-blue

  • Referenced in 6 articles [sw18124]
  • HOOMD-blue is a general-purpose particle simulation toolkit. It scales from a single ... high-level python script. Then tell HOOMD-blue how you want to execute ... analysis. Download and get started using HOOMD-blue today. Please cite HOOMD-blue...
  • HOOMD-TF

  • Referenced in 2 articles [sw40891]
  • TensorFlow in a HOOMD-blue simulation. HOOMD-TF can be used for a variety ... force-matching, online machine learning in HOOMD-blue simulations, and arbitrary collective variable calculations using ... TensorFlow tensor operations. Because both HOOMD-blue and TensorFlow are GPU-accelerated, HOOMD ... TensorFlow, by exposing the HOOMD-blue neighbor list and particle positions to TensorFlow. This enables...
  • 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...