updating readme [skip ci]

ersilia-os · May 14, 2024 · 0754faf · 0754faf
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diff --git a/Dockerfile b/Dockerfile
@@ -3,8 +3,8 @@ MAINTAINER ersilia
 
 RUN pip install xgboost==2.0.2
 RUN pip install lightgbm==4.1.0
-RUN pip install scikit-learn==1.3.2
 RUN pip install lazyqsar==0.3
+RUN pip install scikit-learn==1.3.2
 
 WORKDIR /repo
 COPY . /repo
diff --git a/README.md b/README.md
@@ -26,7 +26,7 @@ Prediction of the activity of small molecules against Mycobacterium tuberculosis
 ## Ersilia model URLs
 * [GitHub](https://github.com/ersilia-os/eos9ivc)
 * [AWS S3](https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos9ivc.zip)
-* [DockerHub](https://hub.docker.com/r/ersiliaos/eos9ivc) (AMD64, ARM64)
+* [DockerHub](https://hub.docker.com/r/ersiliaos/eos9ivc) (AMD64)
 
 ## Citation
 

diff --git a/input.csv b/input.csv
@@ -0,0 +1 @@
+C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1
diff --git a/metadata.json b/metadata.json
@@ -32,7 +32,6 @@
     "S3": "https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos9ivc.zip",
     "DockerHub": "https://hub.docker.com/r/ersiliaos/eos9ivc",
     "Docker Architecture": [
-        "AMD64",
-        "ARM64"
+        "AMD64"
     ]
 }
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		C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1