Update README. #38
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Update README. #38
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hmacdope
approved these changes
Jan 19, 2024
hmacdope
reviewed
Jan 19, 2024
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| ## Generate an instance of the mtenn SchNet model | ||
| m = SchNet() | ||
| The input passed to this model should be a `dict` with the following keys (based on the underlying model): |
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Now that I think about it more pythonic would be to pass these as named args rather than a dict with an expected structure but we can discuss as is big API change.
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The old README was very out of date and not relevant. Update with new example and installation instructions. Closes #37.