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