README.md
setup.py
polymon/__init__.py
polymon/hparams.py
polymon/setting.py
polymon.egg-info/PKG-INFO
polymon.egg-info/SOURCES.txt
polymon.egg-info/dependency_links.txt
polymon.egg-info/entry_points.txt
polymon.egg-info/requires.txt
polymon.egg-info/top_level.txt
polymon/cli/__init__.py
polymon/cli/main.py
polymon/cli/merge.py
polymon/cli/predict.py
polymon/cli/train_dl.py
polymon/cli/train_ml.py
polymon/data/__init__.py
polymon/data/_dmpnn_transform.py
polymon/data/_pretrained.py
polymon/data/cgcnn.json
polymon/data/dataset.py
polymon/data/dedup.py
polymon/data/featurizer.py
polymon/data/mordred_unstable.txt
polymon/data/polymer.py
polymon/data/utils.py
polymon/data/xenonpy_elements.csv
polymon/estimator/FFV_atom_contrib.npy
polymon/estimator/Tc_atom_contrib.npy
polymon/estimator/__init__.py
polymon/estimator/atom_contrib.py
polymon/estimator/base.py
polymon/estimator/density.py
polymon/estimator/density_Fedors.py
polymon/estimator/density_ibm.py
polymon/estimator/low_fidelity.py
polymon/estimator/ml.py
polymon/estimator/nx_rg.py
polymon/estimator/rg.py
polymon/exp/__init__.py
polymon/exp/pipeline.py
polymon/exp/score.py
polymon/exp/train.py
polymon/exp/utils.py
polymon/model/__init__.py
polymon/model/base.py
polymon/model/dmpnn.py
polymon/model/ensemble.py
polymon/model/gnn.py
polymon/model/gvp.py
polymon/model/mlp.py
polymon/model/register.py
polymon/model/utils.py
polymon/model/gatv2/__init__.py
polymon/model/gatv2/embed_residual.py
polymon/model/gatv2/fastkan_gatv2.py
polymon/model/gatv2/gat_chain_readout.py
polymon/model/gatv2/gatv2_sage.py
polymon/model/gatv2/kan_gatv2.py
polymon/model/gatv2/lineevo.py
polymon/model/gatv2/multi_fidelity.py
polymon/model/gatv2/position_encoding.py
polymon/model/gps/__init__.py
polymon/model/gps/conv.py
polymon/model/gps/gps.py
polymon/model/kan/__init__.py
polymon/model/kan/dmpnn.py
polymon/model/kan/efficient_kan.py
polymon/model/kan/fast_kan.py
polymon/model/kan/fourier_kan.py
polymon/model/kan/gcn.py
polymon/model/kan/gin.py
polymon/model/kan/vanilla.py
polymon/model/polycl/__init__.py
polymon/model/polycl/polycl.py