Files main .github doc openmmml models __init__.py mlpotential.py test .gitignore LICENSE README.md setup.pyBreadcrumbs openmm-ml / openmmml/ Directory actions More optionsLatest commit JMorado Update inputDict of MACEForce (#86) c68fcbd· Aug 7, 2024 HistoryHistory...
Home: https://github.com/openmm/openmm-ml Package license: MIT Summary: High level API for using machine learning models in OpenMM simulations Development: https://github.com/openmm/openmm-ml Documentation: https://github.com/openmm/openmm-ml High level API for using machine learning models in...
18 workflow runs Event Status Branch Actor Update inputDict of MACEForce (#86) Documentation website #12: Commit c68fcbd pushed by peastman main August 6, 2024 19:01 1m 14s OpenMM-ML 1.2 Documentation website #11: Release 1.2 published by peastman June 6, 2024 16:49 1m 14s ...
High level API for using machine learning models in OpenMM simulations - Watchers · openmm/openmm-ml
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conda-forge-webservices bot commented Sep 10, 2024 Hi! This is the friendly automated conda-forge-webservice. I just wanted to let you know that I started rerendering the recipe in #11. conda-forge-admin linked a pull request Sep 10, 2024 that will close this issue MNT: rerender #...
mamba install -c conda-forge openmm-ml We recommend using mamba, since it is faster and less buggy than conda. Usage To use this package, create a MLPotential object, specifying the name of the potential function to use. You can then call createSystem() to create a System object for a ...
High level API for using machine learning models in OpenMM simulations - pages build and deployment · openmm/openmm-ml@a5ab1d9
openmm / openmm-ml Public Notifications Fork 25 Star 80 Code Issues 20 Pull requests 5 Actions Security Insights pages build and deployment #5 Sign in to view logs Summary Jobs build report-build-status deploy Run details Usage Triggered via GitHub Pages April 9, 2024 16:39 ...