Comments (3)
Also add active GPUMD NEP interfaces.
- https://gitlab.com/materials-modeling/calorine
- original publication not linked in README at time of writing. https://joss.theoj.org/papers/10.21105/joss.06264
- https://github.com/bigd4/PyNEP
- https://github.com/initqp/somd
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Thank you for the addition @brucefan1983! Added GPUMD / NEP, datasets and Python interfaces.
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Related Issues (20)
- Add project: apax
- Add project: ALEBREW
- Add project: Materials Project Trajectory (MPtrj) Dataset
- Add project: MPF.2021.2.8
- Add project: Graphs of Materials Project 20190401
- Update project: Open Catalyst Project --> FAIR Chemistry
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