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hassanmohsin/ligandnet-web

By hassanmohsin

•Updated about 5 years ago

Image
0

229

hassanmohsin/ligandnet-web repository overview

version 2 (tag v2) returns model info. It only receives jsonified input iwith POST request and returns jsonified output. An example:

{
	"smiles": "CC(=O)N/C1=N/N=C([S]1)[S](N)(=O)=O",
	"confidence": 0.7
}

Dockerfile: v2

FROM hassanmohsin/rdkit-ubuntu:latest
MAINTAINER Md Mahmudulla Hassan <[email protected]>

#RUN apt update && apt upgrade -y
#RUN apt autoremove -y
#RUN apt install -y python3-pip

COPY requirements.txt .
RUN pip3 install -r requirements.txt

WORKDIR /app

# Need to have ligandnet directory from github.com/hassanmohsin/LigandNet  and app.py from /web in the current directory
COPY . .

ENTRYPOINT ["python3", "app.py"]
EXPOSE 5000

Tag summary

Content type

Image

Digest

Size

2.9 GB

Last updated

about 5 years ago

docker pull hassanmohsin/ligandnet-web