updating readme [skip ci]

Dockerfile

@@ -1,11 +1,10 @@
 FROM bentoml/model-server:0.11.0-py37
 MAINTAINER ersilia
 
-RUN pip install tmap
-RUN pip install rdkit
+RUN pip install tmap==1.2.1
+RUN pip install rdkit==2023.3.2
 RUN wget https://raw.githubusercontent.com/ersilia-os/eos59rr/main/model/framework/code/bidd-molmap/requirements.txt
 RUN pip install -r requirements.txt
-RUN pip install h5py==2.10.0
 
 WORKDIR /repo
 COPY . /repo

config.json

@@ -0,0 +1,3 @@
+{
+    "default_mode": "conda"
+}

model/framework/code/main.py

@@ -11,7 +11,7 @@
 
 
 root = os.path.dirname(os.path.abspath(__file__))
-sys.path.append(os.path.join(root, "./bidd-molmap/"))
+sys.path.append(os.path.join(root, "/bidd-molmap/"))
 
 
 mp = fingerprints_molmap()