├── .gitignore ├── README.md ├── _assets ├── Depositphotos_6284414_XL.jpg └── concept.jpg ├── analysis ├── analysis.ipynb ├── config.py ├── ewm.py ├── figs.ipynb ├── molecule.ipynb ├── parser.py └── refs │ └── pnas2016.csv ├── data ├── ff35520-r-fixk0-backflow-tabc-w-feature-learnf-corrects-gs-real │ └── n_16_dim_3_rs_1.31_T_6000_fs_1_fd_2_fh1_16_fh2_16_wd_4_wh1_32_wh2_16_Nf_5_K_1_nk_19_Gmax_15_kappa_10_mctherm_10_mcsteps_10_50_mcwidth_0.02_0.04_lr_1_0.05_decay_0.001_0.001_damping_0.001_0.001_norm_0.001_0.001_clip_5_alpha_0.05_ws_1_bs_4096_accsteps_1 │ │ └── data.txt ├── ff35520-r-fixk0-backflow-tabc-w-feature-learnf-corrects-real-twist-mala │ └── n_14_dim_3_t_1_rs_4_T_5000_fs_1_fd_4_fh1_32_fh2_16_wd_4_wh1_32_wh2_16_Nf_1_K_1_nk_57_Gmax_15_kappa_10_mctherm_10_mcsteps_100_500_mcwidth_0.01_0.05_lr_0.01_0.01_decay_0.01_damping_0.001_0.001_norm_0.001_0.001_clip_4_alpha_0.05_ws_1024_bs_8_accsteps_1 │ │ ├── data.txt │ │ └── epoch_000921.pkl ├── ff35520-r-fixk0-backflow-tabc-w-feature-learnf-corrects-real-twist │ ├── n_16_dim_3_t_1_rs_1.25_T_6000_fs_1_fd_3_fh1_32_fh2_16_wd_4_wh1_32_wh2_16_Nf_1_K_1_nk_57_Gmax_15_kappa_10_mctherm_10_mcsteps_10_100_mcwidth_0.02_0.04_lr_0.05_0.05_decay_0.001_damping_0.001_0.001_norm_0.001_0.001_clip_5_alpha_0.05_ws_1024_bs_8_accsteps_1 │ │ ├── data.txt │ │ └── epoch_006426.pkl │ ├── n_16_dim_3_t_1_rs_1.25_T_6000_fs_1_fd_3_fh1_32_fh2_16_wd_4_wh1_32_wh2_16_Nf_1_K_1_nk_57_Gmax_15_kappa_10_mctherm_10_mcsteps_50_500_mcwidth_0.02_0.04_lr_0.05_0.05_decay_0.001_damping_0.001_0.001_norm_0.001_0.001_clip_5_alpha_0.05_ws_1024_bs_8_accsteps_1 │ │ ├── data.txt │ │ └── epoch_015486.pkl │ ├── n_16_dim_3_t_2_rs_1.25_T_6000_fs_1_fd_3_fh1_32_fh2_16_wd_4_wh1_32_wh2_16_Nf_1_K_1_nk_57_Gmax_15_kappa_10_mctherm_10_mcsteps_50_500_mcwidth_0.02_0.04_lr_0.05_0.05_decay_0.001_damping_0.001_0.001_norm_0.001_0.001_clip_5_alpha_0.1_ws_128_bs_8_accsteps_1 │ │ ├── data.txt │ │ └── epoch_019115.pkl │ ├── n_16_dim_3_t_4_rs_1.25_T_6000_fs_1_fd_3_fh1_32_fh2_16_wd_4_wh1_32_wh2_16_Nf_1_K_1_nk_57_Gmax_15_kappa_10_mctherm_10_mcsteps_10_100_mcwidth_0.02_0.04_lr_0.05_0.05_decay_0.001_damping_0.001_0.001_norm_0.001_0.001_clip_5_alpha_0.05_ws_16_bs_8_accsteps_1 │ │ ├── data.txt │ │ └── epoch_019738.pkl │ ├── n_16_dim_3_t_6_rs_1.25_T_6000_fs_1_fd_3_fh1_32_fh2_16_wd_4_wh1_32_wh2_16_Nf_1_K_1_nk_57_Gmax_15_kappa_10_mctherm_10_mcsteps_50_500_mcwidth_0.02_0.04_lr_0.05_0.05_decay_0.001_damping_0.001_0.001_norm_0.001_0.001_clip_5_alpha_0.1_ws_6_bs_8_accsteps_1 │ │ ├── data.txt │ │ └── epoch_015948.pkl │ ├── n_32_dim_3_t_4_rs_1.25_T_6000_fs_1_fd_3_fh1_32_fh2_16_wd_4_wh1_32_wh2_16_Nf_1_K_1_nk_57_Gmax_15_kappa_10_mctherm_10_mcsteps_10_100_mcwidth_0.02_0.04_lr_0.05_0.05_decay_0.001_damping_0.001_0.001_norm_0.001_0.001_clip_5_alpha_0.05_ws_16_bs_8_accsteps_1 │ │ ├── data.txt │ │ └── epoch_017178.pkl │ ├── n_32_dim_3_t_4_rs_1.25_T_6000_fs_1_fd_3_fh1_32_fh2_16_wd_4_wh1_32_wh2_16_Nf_1_K_1_nk_57_Gmax_15_kappa_10_mctherm_10_mcsteps_10_100_mcwidth_0.02_0.04_lr_0.05_0.05_decay_0.001_damping_0.001_0.001_norm_0.001_0.001_clip_5_alpha_0.05_ws_16_bs_8_accsteps_1_old │ │ ├── data.txt │ │ └── epoch_007292.pkl │ └── n_54_dim_3_t_4_rs_1.25_T_6000_fs_1_fd_3_fh1_32_fh2_16_wd_4_wh1_32_wh2_16_Nf_1_K_1_nk_57_Gmax_15_kappa_10_mctherm_10_mcsteps_50_500_mcwidth_0.02_0.04_lr_0.05_0.05_decay_0.001_damping_0.001_0.001_norm_0.001_0.001_clip_5_alpha_0.05_ws_16_bs_8_accsteps_1 │ │ ├── data.txt │ │ ├── epoch_000155.pkl │ │ ├── epoch_007892.pkl │ │ ├── epoch_015633.pkl │ │ └── epoch_023375.pkl └── ff35520-r-fixk0-backflow-tabc-w-feature-learnf-corrects │ └── n_54_dim_3_rs_1.25_T_6000_fs_1_fd_4_fh1_32_fh2_16_wd_3_wh1_32_wh2_16_Nf_5_K_1_nk_57_Gmax_15_kappa_10_mctherm_10_mcsteps_100_1000_mcwidth_0.02_0.04_lr_0.05_0.05_decay_0.001_damping_0.001_0.001_norm_0.001_0.001_clip_5_alpha_0.1_ws_1024_bs_8192_accsteps_1 │ ├── 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