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mir-group / nequip Public

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Fork 135
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Issues 26
Pull requests 4
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Pull requests: mir-group/nequip

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Pull requests list

fix sign error in early_stopping.py

#465 opened Sep 26, 2024 by ESEberhard

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Atom virial and stress calculation for virial calculation parallelism of Allegro in Lammps

#281 opened Dec 15, 2022 by Hongyu-yu

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4 of 10 tasks

Horovod

#211 opened May 12, 2022 by Linux-cpp-lisp • Draft

Warn when unused keys are present in the config

#154 opened Feb 14, 2022 by Linux-cpp-lisp • Draft

10 tasks

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