forked from aqlaboratory/openfold
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Dockerfile
24 lines (16 loc) · 779 Bytes
/
Dockerfile
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
ARG IMAGE_NAME=nvcr.io/nvidia/pytorch:21.06-py3
FROM ${IMAGE_NAME} AS base
ENV DEBIAN_FRONTEND=noninteractive
RUN apt update && \
apt install -y aria2
COPY . /workspace/openfold
WORKDIR /workspace/openfold
RUN pip install -r requirements_minimal.txt
RUN python setup.py install
# TODO add all dependencies needed for inference
RUN wget -q -P openfold/resources \
https://git.scicore.unibas.ch/schwede/openstructure/-/raw/7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt && \
mkdir -p tests/test_data/alphafold/common && \
ln -rs openfold/resources/stereo_chemical_props.txt tests/test_data/alphafold/common
RUN scripts/download_alphafold_params.sh openfold/resources
RUN gunzip tests/test_data/sample_feats.pickle.gz