craylabs / smartsim-openmm Goto Github PK
View Code? Open in Web Editor NEWSmartSim used to implement the DeepDriveMD workflow with OpenMM
License: BSD 2-Clause "Simplified" License
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Update to 2022 version of DeepDrive
The code in this repository is an implementation of the original DeepDriveMD workflow. In 2021 an updated version of the DeepDriveMD workflow was released. It would be great if we could update the code in this repository to reflect the new version of the workflow.
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