datamol-io / graphium

Graphium: Scaling molecular GNNs to infinity.
https://graphium-docs.datamol.io/
Apache License 2.0
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WIP: 0 GNN layers on last IPU + Fingerprinting #488

Closed callumm-graphcore closed 2 months ago

callumm-graphcore commented 10 months ago

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discussion related to that PR

callumm-graphcore commented 10 months ago

Sorry Sam, this was more about me sharing some extra code with Kerstin than making a change to the library, I will look at your comments tomorrow

s-maddrellmander commented 10 months ago

No worries! Just saw there was an outstanding PR and glanced thought, ping me when there’s something concrete to review. :)

codecov[bot] commented 9 months ago

Codecov Report

Merging #488 (5ee8bc1) into main (a8e715c) will decrease coverage by 0.96%. Report is 68 commits behind head on main. The diff coverage is 3.27%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #488 +/- ## ========================================== - Coverage 71.42% 70.46% -0.96% ========================================== Files 93 95 +2 Lines 8527 8845 +318 ========================================== + Hits 6090 6233 +143 - Misses 2437 2612 +175 ``` | [Flag](https://app.codecov.io/gh/datamol-io/graphium/pull/488/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=datamol-io) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/datamol-io/graphium/pull/488/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=datamol-io) | `70.46% <3.27%> (-0.96%)` | :arrow_down: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=datamol-io#carryforward-flags-in-the-pull-request-comment) to find out more. | [Components](https://app.codecov.io/gh/datamol-io/graphium/pull/488/components?src=pr&el=components&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=datamol-io) | Coverage Δ | | |---|---|---| | [ipu](https://app.codecov.io/gh/datamol-io/graphium/pull/488/components?src=pr&el=component&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=datamol-io) | `49.14% <ø> (ø)` | |
DomInvivo commented 2 months ago

@callumm-graphcore, @s-maddrellmander , any news on this PR? It was never merged, but I suppose you want to merge it? Or should we close it? It was completed since March 12th.

callumm-graphcore commented 2 months ago

Hi @DomInvivo, we're no longer working on this so I've just closed both PRs