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/.gitignore
+++ b/.gitignore
@@ -0,0 +1,25 @@
+valid_remapped
+lig_test
+dataset.pkl
+run_digs.sh
+*.pdb
+.vscode
+slurm_logs/
+*/output/
+*/notebooks/
+*/models/
+__pycache__/
+*/run_scripts/
+unit_tests/
+ruff.toml
+*/scratch/
+csblast-2.2.3/
+outputs/
+pdb100_2021Mar03/
+RFAA_paper_weights.pt
+SE3nv-20240131.sif
+rf2aa/test_pickles/
+rf2aa/ligands.json.gz
+rf2aa/SE3Transformer/images/
+img/
+examples/docker/*.pt