OneScience-Group
/

eSEN

materials-science

machine-learning-potential

equivariant-graph-neural-network

structure-relaxation

molecular-dynamics

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eSEN / .gitignore

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	outputs/
	checkpoints/
	datasets/
	weight/esen_*.pt
	weight/esen_*.pth
	__pycache__/
	demo/__pycache__/
	*.py[cod]
	*.log
	*.traj
	relaxed.cif