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How to contribute a new molecule? #13

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ricalessandri opened this issue Oct 19, 2022 · 1 comment

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ricalessandri commented Oct 19, 2022 •

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What is the list of files needed?
These 8 files.
What is the minimal validation required?
Probably logP and density.

Owner Author

ricalessandri commented Oct 19, 2022

The development of PR #14 will shape this procedure.

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