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Hi,
I've been trying to run QCG calculations for a small organic molecule using CREST 3.0., but I keep encountering the trial MTD convergence error (after the "quantum cluster growth: GROW" part), re…
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:bug: Your bug may already be reported!
Please search on the [issue tracker](https://github.com/NCAR/DART/issues) before creating a new issue.
### Describe the bug
1. Run https://github.com/NCA…
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I just learned that in the group of Titus they are also working on PathSampling schemes and they seem to have a useable Python interface for Gromaces 5.1 which will be available soon.
Also they have …
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**Description**
"Poll failed for model directory 'ensemble': unexpected platform type 'ensemble' for ensemble"
**Triton Information**
tritonserver:24.08 docker image from
https://docs.nvidia.co…
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# Tweet summary
Stable and not-overfitting approach to rank feature importance. Iterate feature importance test based on RandomForest or boosting methods with randomly generated additional "shadow" f…
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I am trying to run PatchCore with Tile operation as in the code
`input_tensor` = self.tiler.tile(input_tensor)`
I define self.tiler = Tiler(tile_size=448,stride=400)
Input_tensor before tiling torc…
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Dear Khalak,
I found there are many clashes when aligning the decoupled structures of ligands in solvent into the apo state pocket. And some of them cannot be solved by just do a minimization and t…
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Building on recent discussion in Testbed-20 (https://gitlab.ogc.org/ogc/T20-GDC/-/issues/14), setting up a thread to discuss what the definition of what a "geodatacube" is. Goal is for the SWG to come…
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So, basically in order to complete some sort of constrained alignment, we should load track parameter constraints from external sources. For example, if we want to correct p vs tanL trend, we could lo…
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### I don't have 8 GPUS, so I chang3 Num_GPUS to 2 and it raise this error. How can I fix it?
I use e2e_cascade_rcnn_X-101-64x4d-FPN_1x.yaml. I change it like:
MODEL:
TYPE: generalized_rcnn
CO…