+ schemist convert /nemo/lab/johnsone/home/users/johnsoe/data/datasets/biogen-adme/ADME_public_set_3521-eoj.csv --format csv --column SMILES --to id inchikey smiles scaffold mwt clogp tpsa --options prefix=SCB-
+ schemist split --format csv --column SMILES --type scaffold --train 0.85 --test 0.15 --seed 1
+ gzip --best
+ for split_name in train test
++ basename /nemo/lab/johnsone/home/users/johnsoe/data/datasets/fang-2023-biogen-adme/biogen-adme.csv.gz .csv.gz
+ split=/nemo/lab/johnsone/home/users/johnsoe/data/datasets/fang-2023-biogen-adme/biogen-adme_train.csv.gz
++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/fang-2023-biogen-adme/biogen-adme.csv.gz
++ head -n1
++ tr , '
'
++ grep -n is_train
++ cut -d: -f1
+ filter_field=18
+ gzip --best
+ cat /dev/fd/63 /dev/fd/62
++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/fang-2023-biogen-adme/biogen-adme.csv.gz
++ head -n1
++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/fang-2023-biogen-adme/biogen-adme.csv.gz
++ tail -n+2
++ awk -F, -v OFS=, '$18 == "True"'
+ for split_name in train test
++ basename /nemo/lab/johnsone/home/users/johnsoe/data/datasets/fang-2023-biogen-adme/biogen-adme.csv.gz .csv.gz
+ split=/nemo/lab/johnsone/home/users/johnsoe/data/datasets/fang-2023-biogen-adme/biogen-adme_test.csv.gz
++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/fang-2023-biogen-adme/biogen-adme.csv.gz
++ head -n1
++ tr , '
'
++ grep -n is_test
++ cut -d: -f1
+ filter_field=19
+ gzip --best
+ cat /dev/fd/63 /dev/fd/62
++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/fang-2023-biogen-adme/biogen-adme.csv.gz
++ head -n1
++ zcat /nemo/lab/johnsone/home/users/johnsoe/data/datasets/fang-2023-biogen-adme/biogen-adme.csv.gz
++ tail -n+2
++ awk -F, -v OFS=, '$19 == "True"'
+ set +x