Docker fixes and other nice things #7
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steverweber
commented
Oct 27, 2024
•
steverweber
commented
- fix dockerfile to a versioned miniconda and python version
- bump rdkit version to resolve undefined symbol _ZN5boost9iostreams4zlib8deflatedE
- fix mgltools download url
- add some missing prams to docker example json
- add example docker json with multithreading enabled
- prevent fail if missing params prepare_ligand4.py, prepare_receptor4.py, mgl_python
added 2 commits
October 27, 2024 13:19
- bump rdkit version to resolve undefined symbol _ZN5boost9iostreams4zlib8deflatedE - add some missing params to docker example json - add example docker json with multithreading enabled
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