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lab-cosmo / atomistic-cookbook Public

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Pull requests: lab-cosmo/atomistic-cookbook

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Pull requests list

Update PET-MAD example to PET-MAD v1.1.0rc4

#129 opened Apr 29, 2025 by abmazitov

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Make WaterModel run on GPU

#128 opened Apr 29, 2025 by PicoCentauri

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Update environment.yml

#127 opened Apr 28, 2025 by ppegolo • Draft

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Example using the MCoV model

#126 opened Apr 24, 2025 by ppegolo • Draft

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A notebook for non-conservative MTS dynamics with PET-MAD

#124 opened Apr 10, 2025 by ceriottm

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Free energy

#103 opened Dec 10, 2024 by DavideTisi

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Running metadynamics with PLUMED and metatensor-defined collective variables

#88 opened Oct 11, 2024 by Luthaf • Draft

Stub of an o3-averaging example

#80 opened Sep 26, 2024 by ceriottm • Draft

2

ProTip! Updated in the last three days: updated:>2025-04-26.

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