Initial commit: RoseTTAFold-All-Atom configured for Wes with Harbor images and s3:// paths

2026-03-17 17:57:24 +01:00
commit 6eef3bb748
108 changed files with 28144 additions and 0 deletions
--- a/rf2aa/config/inference/protein_complex_sm.yaml
+++ b/rf2aa/config/inference/protein_complex_sm.yaml
@@ -0,0 +1,14 @@
+defaults:
+  - base
+job_name: "3fap"
+
+protein_inputs:
+  A:
+    fasta_file: examples/protein/3fap_A.fasta
+  B: 
+    fasta_file: examples/protein/3fap_B.fasta
+
+sm_inputs:
+  C:
+    input: examples/small_molecule/ARD_ideal.sdf
+    input_type: "sdf"