diff --git a/README.md b/README.md index e7870b8..c26fc14 100644 --- 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 index 9c1ccfc..0e79da8 100644 --- 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" ] } \ No newline at end of file diff --git a/model/framework/code/main.py b/model/framework/code/main.py index cd33b22..0cdc08a 100644 --- 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 index 3083b7e..a9c6d31 100644 --- 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 ] } }