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Pull requests: lab-cosmo/atomistic-cookbook

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Pull requests list

Center cookbook text below logo
#110 opened Jan 22, 2025 by PicoCentauri Loading…
1
Add example for constructing flexible water models
#109 opened Jan 20, 2025 by PicoCentauri Loading…
2 tasks done
1
Add example for learning capabilities with torchpme
#104 opened Dec 11, 2024 by E-Rum Loading…
1
Free energy
#103 opened Dec 10, 2024 by DavideTisi Loading…
1
Add a tutorial on rotating equivariants
#102 opened Dec 10, 2024 by frostedoyster Loading…
4
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
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