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Projects in Awesome Lists by openmm
A curated list of projects in awesome lists by openmm .
https://github.com/openmm/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Last synced: 07 Nov 2024
https://github.com/openmm/openmm-torch
OpenMM plugin to define forces with neural networks
Last synced: 13 Nov 2024
https://github.com/openmm/spice-dataset
A collection of QM data for training potential functions
Last synced: 13 Nov 2024
https://github.com/openmm/NNPOps
High-performance operations for neural network potentials
cuda gpu machine-learning molecular-dynamics molecular-modeling
Last synced: 13 Nov 2024
https://github.com/openmm/openmm-ml
High level API for using machine learning models in OpenMM simulations
Last synced: 13 Nov 2024