Updating equidock repo to latest packages - dgl #24
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Updating packages to latest (as of sep 2023, using Python 3.10.13) for using current version of various dependencies. No new dependencies added. With these changes, the inference command
python src/inference_rigid.pycan be run successfully with GPU. Since the python code is not installed as a package, ensure to add the root folder to PYTHONPATH using something likeexport PYTHONPATH="${PYTHONPATH}:/home/somewhere/equidock_public"