From 9e28db02b1dda5816e4689a9cda6853c931c82d1 Mon Sep 17 00:00:00 2001 From: Rohith Krishna Date: Mon, 11 Mar 2024 15:05:22 -0700 Subject: [PATCH] added back sm complex example --- rf2aa/config/inference/protein_sm.yaml | 13 +++++++++++++ 1 file changed, 13 insertions(+) create mode 100644 rf2aa/config/inference/protein_sm.yaml diff --git a/rf2aa/config/inference/protein_sm.yaml b/rf2aa/config/inference/protein_sm.yaml new file mode 100644 index 0000000..939e13e --- /dev/null +++ b/rf2aa/config/inference/protein_sm.yaml @@ -0,0 +1,13 @@ +defaults: + - base + +job_name: 7qxr + +protein_inputs: + A: + fasta_file: examples/protein/7qxr.fasta + +sm_inputs: + B: + input: examples/small_molecule/NSW_ideal.sdf + input_type: "sdf" \ No newline at end of file