LICENSE
README.md
pyproject.toml
setup.cfg
sevenn/__init__.py
sevenn/_const.py
sevenn/_keys.py
sevenn/atom_graph_data.py
sevenn/calculator.py
sevenn/checkpoint.py
sevenn/error_recorder.py
sevenn/logger.py
sevenn/logo_ascii
sevenn/model_build.py
sevenn/pair_d3.so
sevenn/parse_input.py
sevenn/py.typed
sevenn/sevenn_logger.py
sevenn/sevennet_calculator.py
sevenn/util.py
sevenn.egg-info/PKG-INFO
sevenn.egg-info/SOURCES.txt
sevenn.egg-info/dependency_links.txt
sevenn.egg-info/entry_points.txt
sevenn.egg-info/requires.txt
sevenn.egg-info/top_level.txt
sevenn/main/__init__.py
sevenn/main/sevenn.py
sevenn/main/sevenn_cp.py
sevenn/main/sevenn_get_model.py
sevenn/main/sevenn_graph_build.py
sevenn/main/sevenn_inference.py
sevenn/main/sevenn_patch_lammps.py
sevenn/main/sevenn_preset.py
sevenn/nn/__init__.py
sevenn/nn/activation.py
sevenn/nn/convolution.py
sevenn/nn/cue_helper.py
sevenn/nn/edge_embedding.py
sevenn/nn/equivariant_gate.py
sevenn/nn/force_output.py
sevenn/nn/interaction_blocks.py
sevenn/nn/linear.py
sevenn/nn/node_embedding.py
sevenn/nn/scale.py
sevenn/nn/self_connection.py
sevenn/nn/sequential.py
sevenn/nn/util.py
sevenn/pair_e3gnn/comm_brick.cpp
sevenn/pair_e3gnn/comm_brick.h
sevenn/pair_e3gnn/pair_d3.cu
sevenn/pair_e3gnn/pair_d3.h
sevenn/pair_e3gnn/pair_d3_for_ase.cu
sevenn/pair_e3gnn/pair_d3_for_ase.h
sevenn/pair_e3gnn/pair_d3_pars.h
sevenn/pair_e3gnn/pair_e3gnn.cpp
sevenn/pair_e3gnn/pair_e3gnn.h
sevenn/pair_e3gnn/pair_e3gnn_parallel.cpp
sevenn/pair_e3gnn/pair_e3gnn_parallel.h
sevenn/pair_e3gnn/patch_lammps.sh
sevenn/presets/MF_0.yaml
sevenn/presets/base.yaml
sevenn/presets/fine_tune.yaml
sevenn/presets/fine_tune_le.yaml
sevenn/presets/multi_modal.yaml
sevenn/presets/sevennet-0.yaml
sevenn/presets/sevennet-l3i5.yaml
sevenn/scripts/__init__.py
sevenn/scripts/backward_compatibility.py
sevenn/scripts/convert_model_modality.py
sevenn/scripts/deploy.py
sevenn/scripts/graph_build.py
sevenn/scripts/inference.py
sevenn/scripts/processing_continue.py
sevenn/scripts/processing_dataset.py
sevenn/scripts/processing_epoch.py
sevenn/scripts/train.py
sevenn/train/__init__.py
sevenn/train/atoms_dataset.py
sevenn/train/collate.py
sevenn/train/dataload.py
sevenn/train/dataset.py
sevenn/train/graph_dataset.py
sevenn/train/loss.py
sevenn/train/modal_dataset.py
sevenn/train/optim.py
sevenn/train/trainer.py