diff --git a/unimol/docker/Dockerfile b/unimol/docker/Dockerfile index 1317cff..4afe485 100644 --- a/unimol/docker/Dockerfile +++ b/unimol/docker/Dockerfile @@ -1,5 +1,7 @@ FROM dptechnology/unicore:0.0.1-pytorch1.11.0-cuda11.3 +RUN pip install setuptools wheel twine + RUN pip install rdkit-pypi==2021.9.5.1 RUN ldconfig && \