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

This commit is contained in:
2026-03-17 17:57:24 +01:00
commit 6eef3bb748
108 changed files with 28144 additions and 0 deletions

View File

@@ -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"