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What is the 'pymols' package used in the make_dset.py file ?

Status: Open.

#32 In learningmatter-mit/NeuralForceField;

· Codingyyao opened on Mar 5, 2025

Is there a convenient way to train models using the ASE extended XYZ file format?

Status: Open.

#29 In learningmatter-mit/NeuralForceField;

· FLongWang opened on Dec 25, 2024

Handle update from ASE 3.22.1 to 3.23.0

bugSomething isn't workingSomething isn't working

Status: Open.

#25 In learningmatter-mit/NeuralForceField;

· ajhoffman1229 opened on Sep 20, 2024

CHGNet wrapper for pretrained models does not load the correct path when NFF is installed using pip

bugSomething isn't workingSomething isn't working

Status: Open.

#24 In learningmatter-mit/NeuralForceField;

· xiaochendu opened on Jul 19, 2024