From 7d94365791d8fa95ddedc190712c89f1fe42e32a Mon Sep 17 00:00:00 2001 From: Malik Badmus <46167222+Malikbadmus@users.noreply.github.com> Date: Wed, 15 Jan 2025 01:04:07 +0100 Subject: [PATCH 1/4] Renamed model/framework/examples/output.csv to model/framework/examples/run_output.csv --- model/framework/examples/run_output.csv | 4 ++++ 1 file changed, 4 insertions(+) create mode 100644 model/framework/examples/run_output.csv diff --git a/model/framework/examples/run_output.csv b/model/framework/examples/run_output.csv new file mode 100644 index 0000000..de2559a --- /dev/null +++ b/model/framework/examples/run_output.csv @@ -0,0 +1,4 @@ +hdac1_pic50_7,hdac1_pic50_8 +0.00079100113,0.0014092837 +0.24144994,0.008287416 +0.005757524,0.0006798105 \ No newline at end of file From 913193b2739899e2b942b47d0c2627074a7d4543 Mon Sep 17 00:00:00 2001 From: Malik Badmus <46167222+Malikbadmus@users.noreply.github.com> Date: Wed, 15 Jan 2025 01:04:08 +0100 Subject: [PATCH 2/4] Deleted model/framework/examples/output.csv after renaming to model/framework/examples/run_output.csv --- model/framework/examples/output.csv | 4 ---- 1 file changed, 4 deletions(-) delete mode 100644 model/framework/examples/output.csv diff --git a/model/framework/examples/output.csv b/model/framework/examples/output.csv deleted file mode 100644 index de2559a..0000000 --- a/model/framework/examples/output.csv +++ /dev/null @@ -1,4 +0,0 @@ -hdac1_pic50_7,hdac1_pic50_8 -0.00079100113,0.0014092837 -0.24144994,0.008287416 -0.005757524,0.0006798105 \ No newline at end of file From 76ed95ff8885900ad8d9f72bf493c62b33a032d4 Mon Sep 17 00:00:00 2001 From: Malik Badmus <46167222+Malikbadmus@users.noreply.github.com> Date: Wed, 15 Jan 2025 01:04:10 +0100 Subject: [PATCH 3/4] Renamed model/framework/examples/input.csv to model/framework/examples/run_input.csv --- model/framework/examples/run_input.csv | 4 ++++ 1 file changed, 4 insertions(+) create mode 100644 model/framework/examples/run_input.csv diff --git a/model/framework/examples/run_input.csv b/model/framework/examples/run_input.csv new file mode 100644 index 0000000..f28efe5 --- /dev/null +++ b/model/framework/examples/run_input.csv @@ -0,0 +1,4 @@ +smiles +Cc1ccc(cc1)S(=O)(=O)\C=C\C#N +O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1 +Cc1[nH]c(C)c(Cl)c(=O)c1Cl \ No newline at end of file From 10316c6cc2c3446729fd18231aa5c16b68feec6a Mon Sep 17 00:00:00 2001 From: Malik Badmus <46167222+Malikbadmus@users.noreply.github.com> Date: Wed, 15 Jan 2025 01:04:11 +0100 Subject: [PATCH 4/4] Deleted model/framework/examples/input.csv after renaming to model/framework/examples/run_input.csv --- model/framework/examples/input.csv | 4 ---- 1 file changed, 4 deletions(-) delete mode 100644 model/framework/examples/input.csv diff --git a/model/framework/examples/input.csv b/model/framework/examples/input.csv deleted file mode 100644 index f28efe5..0000000 --- a/model/framework/examples/input.csv +++ /dev/null @@ -1,4 +0,0 @@ -smiles -Cc1ccc(cc1)S(=O)(=O)\C=C\C#N -O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1 -Cc1[nH]c(C)c(Cl)c(=O)c1Cl \ No newline at end of file