updating readme [skip ci]

ersilia-os · May 15, 2024 · fdf6478 · fdf6478
1 parent 7504801
commit fdf6478
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Showing 4 changed files with 4 additions and 12 deletions.
diff --git a/README.md b/README.md
@@ -26,7 +26,7 @@ Estimation of synthetic accessibility score (SAScore) of drug-like molecules bas
 ## Ersilia model URLs
 * [GitHub](https://github.com/ersilia-os/eos9ei3)
 * [AWS S3](https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos9ei3.zip)
-* [DockerHub](https://hub.docker.com/r/ersiliaos/eos9ei3) (AMD64, ARM64)
+* [DockerHub](https://hub.docker.com/r/ersiliaos/eos9ei3) (AMD64)
 
 ## Citation
 

diff --git a/metadata.json b/metadata.json
@@ -31,7 +31,6 @@
     "S3": "https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos9ei3.zip",
     "DockerHub": "https://hub.docker.com/r/ersiliaos/eos9ei3",
     "Docker Architecture": [
-        "AMD64",
-        "ARM64"
+        "AMD64"
     ]
 }
diff --git a/model/framework/code/main.py b/model/framework/code/main.py
@@ -47,6 +47,6 @@
     writer = csv.writer(f)
     writer.writerow(["sa_score"])  # header
     for o in outputs:
-        writer.writerow(o)
+        writer.writerow([o])
 
 os.remove("tmp_input.smi")
diff --git a/output.json b/output.json
@@ -7,14 +7,7 @@
         },
         "output": {
             "outcome": [
-                1.0,
-                null,
-                6.0,
-                0.0,
-                5.0,
-                7.0,
-                2.0,
-                3.0
+                1.605723
             ]
         }
     }