LICENSE.rst
README.md
pyproject.toml
setup.py
nfflr/__init__.py
nfflr/ase.py
nfflr/atoms.py
nfflr.egg-info/PKG-INFO
nfflr.egg-info/SOURCES.txt
nfflr.egg-info/dependency_links.txt
nfflr.egg-info/entry_points.txt
nfflr.egg-info/requires.txt
nfflr.egg-info/top_level.txt
nfflr/data/__init__.py
nfflr/data/dataset.py
nfflr/data/graph.py
nfflr/models/__init__.py
nfflr/models/abstract.py
nfflr/models/utils.py
nfflr/models/classical/__init__.py
nfflr/models/classical/eam.py
nfflr/models/classical/eam_check.py
nfflr/models/classical/embedded_atom.py
nfflr/models/classical/lj.py
nfflr/models/classical/smeam.py
nfflr/models/classical/tersoff.py
nfflr/models/gnn/__init__.py
nfflr/models/gnn/alignn.py
nfflr/models/gnn/alignn_ff.py
nfflr/models/gnn/bond_order.py
nfflr/models/gnn/equiformer.py
nfflr/models/gnn/gcn.py
nfflr/models/gnn/icgcnn.py
nfflr/models/gnn/modified_cgcnn.py
nfflr/models/gnn/schnet.py
nfflr/models/gnn/tfm.py
nfflr/models/gnn/transformer.py
nfflr/nn/__init__.py
nfflr/nn/cutoff.py
nfflr/nn/loss.py
nfflr/nn/transform.py
nfflr/nn/layers/__init__.py
nfflr/nn/layers/alignn.py
nfflr/nn/layers/atomfeatures.py
nfflr/nn/layers/basis.py
nfflr/nn/layers/common.py
nfflr/nn/layers/conv.py
nfflr/nn/layers/norm.py