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zincware / IPSuite

Machine Learned Interatomic Potential Tools
https://ipsuite.readthedocs.io
Eclipse Public License 2.0
19 stars 11 forks source link

update MACE calculator #246

Closed PythonFZ closed 10 months ago

PythonFZ commented 11 months ago

allow multiple_models and use CLI mace_run_train instead of curl.

PythonFZ commented 10 months ago

closed by https://github.com/zincware/IPSuite/pull/248