Merge pull request #23 from volkamerlab/rerun-nb-20210701

Rerun notebooks with new data (run 20210701)
volkamerlab · Jul 29, 2021 · fcfdd67 · fcfdd67
2 parents ff43903 + cbdd78e
commit fcfdd67
Show file tree

Hide file tree

Showing 96 changed files with 436,320 additions and 37,388 deletions.
diff --git a/.gitignore b/.gitignore
@@ -90,6 +90,7 @@ target/
 !/data/processed
 !/data/external
 /data/external/structures/*_KLIFS_HUMAN/*
+/data/external/structures/AlphaFoldDB
 
 # exclude results from source control
 /results/*

diff --git a/...s/kinmap/kinmap_ABL1_imatinib_karaman.csv → ...g/KinMap/kinmap_ABL1_imatinib_karaman.csv b/...s/kinmap/kinmap_ABL1_imatinib_karaman.csv → ...g/KinMap/kinmap_ABL1_imatinib_karaman.csv
diff --git a/.../kinmap/kinmap_EGFR_erlotinib_karaman.csv → .../KinMap/kinmap_EGFR_erlotinib_karaman.csv b/.../kinmap/kinmap_EGFR_erlotinib_karaman.csv → .../KinMap/kinmap_EGFR_erlotinib_karaman.csv
diff --git a/.../kinmap/kinmap_EGFR_gefitinib_karaman.csv → .../KinMap/kinmap_EGFR_gefitinib_karaman.csv b/.../kinmap/kinmap_EGFR_gefitinib_karaman.csv → .../KinMap/kinmap_EGFR_gefitinib_karaman.csv
diff --git a/data/processed/pocket_residue_ca_atom_coordinates.csv.gz b/data/processed/pocket_residue_ca_atom_coordinates.csv.gz