• License: MIT
• Home: http://www.torchmd.org/
• Development: https://github.com/torchmd/torchmd/
• Documentation: http://www.torchmd.org/
• 4963 total downloads
• Last upload: 9 months and 14 days ago

Description

TorchMD intends to provide a simple to use API for performing molecular dynamics using PyTorch. This enables researchers to more rapidly do research in force-field development as well as integrate seamlessly neural network potentials into the dynamics, with the simplicity and power of PyTorch.