Add basic app and basic Dockerfile

Dockerfile

@@ -0,0 +1,27 @@
+FROM ubuntu:latest
+
+RUN apt-get update -y
+RUN apt-get install -y sudo wget curl nano git tar bzip2 && rm -rf /var/lib/apt/lists/*
+
+# Build is significantly faster with micromamba, rather than conda
+RUN curl -Ls https://micro.mamba.pm/api/micromamba/linux-aarch64/latest | tar -xvj bin/micromamba
+RUN ./bin/micromamba shell init -s bash -p ~/micromamba  # this writes to your .bashrc file
+RUN ./bin/micromamba --version
+
+# Create conda environment first
+# This is time-consuming and don't want to reproduce it often
+COPY ./basic_environment.yml /
+
+RUN ./bin/micromamba env create --file basic_environment.yml && ./bin/micromamba clean -afy
+RUN ./bin/micromamba list > spec-file.txt
+RUN echo "micromamba activate basic" >> ~/.bashrc
+
+COPY . /app
+
+WORKDIR /app
+
+EXPOSE 8501
+
+# Entrypoint script which activates conda environment
+ENTRYPOINT ["/bin/micromamba", "run", "-n", "basic", "streamlit", "run", "app.py"]
+# ENTRYPOINT ["./entrypoint.sh"]

README.md

@@ -1,10 +1,11 @@
 ---
-title: Diffdockpocket Test
+title: DiffDock-Pocket Test
 emoji: 🚀
 colorFrom: pink
 colorTo: indigo
 sdk: streamlit
 sdk_version: 1.28.0
+port: 8501
 app_file: app.py
 pinned: false
 ---

app.py

@@ -1,3 +1,5 @@
+# import torch
+
 import streamlit as st
 
 x = st.slider('Select a value')

basic_environment.yml

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+name: basic
+channels:
+  - nvidia
+  - pytorch
+  - defaults
+  - conda-forge
+dependencies:
+  - python=3.9.17
+  - pip=23.3.1
+  - pytorch=1.13.1
+  - pip:
+    - streamlit==1.28