Remove obsolete vacuum_peptides trajectories/v1_qc

trajectories/v1_qc/energy_qc_summary.json

@@ -1,45 +0,0 @@
-{
-  "energy_summary_csv": "/mnt/labs/data/tong/many_molecules/vacuum_peptides/trajectories/v1_pruned_qc/energy_summary.csv",
-  "export_dir": "/mnt/labs/data/tong/many_molecules/vacuum_peptides/trajectories/v1_pruned",
-  "heat_capacity_moment_comparison_csv": "/mnt/labs/data/tong/many_molecules/vacuum_peptides/trajectories/v1_pruned_qc/heat_capacity_first_vs_second_moment.csv",
-  "heat_capacity_moment_comparison_pdf": "/mnt/labs/data/tong/many_molecules/vacuum_peptides/trajectories/v1_pruned_qc/heat_capacity_first_vs_second_moment.pdf",
-  "heat_capacity_moment_comparison_png": "/mnt/labs/data/tong/many_molecules/vacuum_peptides/trajectories/v1_pruned_qc/heat_capacity_first_vs_second_moment.png",
-  "heat_capacity_qc_csv": "/mnt/labs/data/tong/many_molecules/vacuum_peptides/trajectories/v1_pruned_qc/heat_capacity_qc.csv",
-  "heat_capacity_status_counts": {
-    "fail": 162,
-    "pass": 11398,
-    "warn": 412
-  },
-  "incomplete_sequence_count": 0,
-  "incomplete_sequences_preview": [],
-  "method": {
-    "fluctuation_relation": "Var(U) = R T^2 Cv_config",
-    "heat_capacity_smoothing": "weighted quadratic regression of log(Cv) on scaled temperature",
-    "normality": "Jarque-Bera reported; pass/warn/fail determined from skewness and excess kurtosis",
-    "self_consistency": "adjacent mean-energy differences versus integral of smooth Cv"
-  },
-  "normality_status_counts": {
-    "fail": 316,
-    "pass": 89772,
-    "warn": 5688
-  },
-  "peptide_qc_status_counts": {
-    "fail": 334,
-    "pass": 7509,
-    "warn": 4129
-  },
-  "pruning_validation": {
-    "states_with_frame_count_mismatch": 0,
-    "states_with_one_initial_frame_pruned_per_block": 95776
-  },
-  "sequence_count": 11972,
-  "split_sequence_counts": {
-    "test": 90,
-    "train": 11852,
-    "val": 30
-  },
-  "state_npz_count": 95776,
-  "status_counts": {
-    "ok": 95776
-  }
-}

trajectories/v1_qc/energy_summary.csv

@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
-oid sha256:2691ad15da73f2e707e0376b405472d770745be531a16275ff9b74ef330caa21
-size 47140763

trajectories/v1_qc/heat_capacity_first_vs_second_moment.csv

@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
-oid sha256:244005f8d5905aa6ae5ac37e3630a161ecf7124375817e350c6c07afcedf5009
-size 15645104

trajectories/v1_qc/heat_capacity_first_vs_second_moment.pdf

@@ -1,3 +0,0 @@
-version https://git-lfs.github.com/spec/v1
-oid sha256:03316cf023ed8f9998d2464fbf9d521bae5b7be22c395b2ed41acebc75c34eaf
-size 393254