├── .gitignore ├── LICENSE ├── README.md ├── continuum ├── __init__.py ├── losses.py ├── model.py ├── nets │ ├── __init__.py │ ├── driftresnet.py │ ├── equivardrift.py │ ├── harmonic_net.py │ ├── hydrogenic_net.py │ ├── pairdrift.py │ ├── pairdrift_h2.py │ └── pairdrift_he.py ├── potentials.py ├── sdesolvers.py ├── test.py └── validate.py ├── environment.yml ├── experiments ├── figures │ ├── Boson_energy_plot │ │ ├── Boson_plot.ipynb │ │ ├── Mujal_N2_s05.txt │ │ ├── Mujal_N3_s05.txt │ │ ├── Mujal_N4_s05.txt │ │ └── experimental_boson_energies │ │ │ ├── run-00g_boson_2p_version_1-tag-val_energy.csv │ │ │ ├── run-00g_boson_3p_version_0-tag-val_energy.csv │ │ │ ├── run-00g_boson_4p_version_0-tag-val_energy.csv │ │ │ ├── run-03g_boson_2p_version_0-tag-val_energy.csv │ │ │ ├── run-03g_boson_3p_version_0-tag-val_energy.csv │ │ │ ├── run-03g_boson_4p_version_0-tag-val_energy.csv │ │ │ ├── run-06g_boson_2p_version_0-tag-val_energy.csv │ │ │ ├── run-06g_boson_3p_version_0-tag-val_energy.csv │ │ │ ├── run-06g_boson_4p_version_0-tag-val_energy.csv │ │ │ ├── run-09_boson_4p_version_0-tag-val_energy.csv │ │ │ ├── run-09g_boson_2p_version_0-tag-val_energy.csv │ │ │ ├── run-09g_boson_3p_version_0-tag-val_energy.csv │ │ │ ├── run-12g_boson_2p_version_0-tag-val_energy.csv │ │ │ ├── run-12g_boson_3p_version_0-tag-val_energy.csv │ │ │ ├── run-12g_boson_4p_version_0-tag-val_energy.csv │ │ │ ├── run-15g_boson_2p_version_0-tag-val_energy.csv │ │ │ ├── run-15g_boson_3p_version_0-tag-val_energy.csv │ │ │ └── run-15g_boson_4p_version_0-tag-val_energy.csv │ ├── H2_density.ipynb │ ├── H2_density.jpg │ ├── bosons_vector_field.ipynb │ ├── bosons_vector_field.jpg │ ├── hydrogen_vector_field.ipynb │ └── hydrogen_vector_field.jpg ├── results │ ├── H │ │ └── version_0 │ │ │ ├── _ckpt_epoch_26.ckpt │ │ │ ├── _ckpt_epoch_38.ckpt │ │ │ ├── _ckpt_epoch_39.ckpt │ │ │ ├── _ckpt_epoch_40.ckpt │ │ │ ├── _ckpt_epoch_46.ckpt │ │ │ ├── _ckpt_epoch_75.ckpt │ │ │ ├── _ckpt_epoch_81.ckpt │ │ │ ├── _ckpt_epoch_87.ckpt │ │ │ ├── _ckpt_epoch_96.ckpt │ │ │ ├── _ckpt_epoch_97.ckpt │ │ │ ├── events.out.tfevents.1590494528.austen-DGX-Station.20345.0 │ │ │ ├── events.out.tfevents.1590510159.austen-DGX-Station.19799.0 │ │ │ └── meta_tags.csv │ ├── H2 │ │ └── version_0 │ │ │ ├── _ckpt_epoch_34.ckpt │ │ │ ├── _ckpt_epoch_35.ckpt │ │ │ ├── _ckpt_epoch_38.ckpt │ │ │ ├── _ckpt_epoch_39.ckpt │ │ │ ├── _ckpt_epoch_40.ckpt │ │ │ ├── _ckpt_epoch_42.ckpt │ │ │ ├── _ckpt_epoch_45.ckpt │ │ │ ├── _ckpt_epoch_47.ckpt │ │ │ ├── _ckpt_epoch_48.ckpt │ │ │ ├── _ckpt_epoch_49.ckpt │ │ │ ├── events.out.tfevents.1590529198.austen-DGX-Station.21204.0 │ │ │ └── meta_tags.csv │ ├── H2_wide │ │ └── version_0 │ │ │ ├── _ckpt_epoch_40.ckpt │ │ │ ├── _ckpt_epoch_47.ckpt │ │ │ ├── _ckpt_epoch_63.ckpt │ │ │ ├── _ckpt_epoch_70.ckpt │ │ │ ├── _ckpt_epoch_72.ckpt │ │ │ ├── _ckpt_epoch_76.ckpt │ │ │ ├── _ckpt_epoch_79.ckpt │ │ │ ├── _ckpt_epoch_82.ckpt │ │ │ ├── _ckpt_epoch_87.ckpt │ │ │ ├── _ckpt_epoch_91.ckpt │ │ │ ├── events.out.tfevents.1590538224.austen-DGX-Station.21204.1 │ │ │ ├── events.out.tfevents.1590679712.austen-DGX-Station.22903.1 │ │ │ ├── events.out.tfevents.1590679826.austen-DGX-Station.22917.1 │ │ │ ├── events.out.tfevents.1590679906.austen-DGX-Station.22991.1 │ │ │ ├── events.out.tfevents.1590679987.austen-DGX-Station.23019.1 │ │ │ ├── events.out.tfevents.1590680982.austen-DGX-Station.24465.1 │ │ │ ├── events.out.tfevents.1590681933.austen-DGX-Station.25585.1 │ │ │ ├── events.out.tfevents.1590681984.austen-DGX-Station.25599.1 │ │ │ ├── events.out.tfevents.1590682232.austen-DGX-Station.25666.1 │ │ │ ├── events.out.tfevents.1590682301.austen-DGX-Station.25808.1 │ │ │ ├── events.out.tfevents.1590682349.austen-DGX-Station.25822.1 │ │ │ ├── events.out.tfevents.1590741101.austen-DGX-Station.29949.1 │ │ │ └── meta_tags.csv │ ├── He │ │ └── version_0 │ │ │ ├── _ckpt_epoch_31.ckpt │ │ │ ├── _ckpt_epoch_32.ckpt │ │ │ ├── _ckpt_epoch_38.ckpt │ │ │ ├── _ckpt_epoch_48.ckpt │ │ │ ├── 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