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Datasets:
ibm-research
/
trajcast.datasets-arxiv2025

Size:
10K<n<100K
ArXiv:
Tags:
chemistry
License:
Dataset card Files Community
flt17 commited on
Commit
ab798d2
·
verified ·
1 Parent(s): 8e2a431

Uploading data

Browse files

Upload data for paracetamol (7 fs), quartz (30 fs) and water (5 fs). For getting started, we also upload a subset of the paracetamol dataset.

Files changed (13) hide show
  1. .gitattributes +8 -0
  2. example/test.extxyz +0 -0
  3. example/train.extxyz +0 -0
  4. example/val.extxyz +0 -0
  5. paracetamol/test.extxyz +0 -0
  6. paracetamol/train.extxyz +3 -0
  7. paracetamol/val.extxyz +3 -0
  8. quartz/test.extxyz +3 -0
  9. quartz/train.extxyz +3 -0
  10. quartz/val.extxyz +3 -0
  11. water/test.extxyz +3 -0
  12. water/train.extxyz +3 -0
  13. water/val.extxyz +3 -0
.gitattributes CHANGED
@@ -57,3 +57,11 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
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  # Video files - compressed
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  *.mp4 filter=lfs diff=lfs merge=lfs -text
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  *.webm filter=lfs diff=lfs merge=lfs -text
 
 
 
 
 
 
 
 
 
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  # Video files - compressed
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  *.mp4 filter=lfs diff=lfs merge=lfs -text
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  *.webm filter=lfs diff=lfs merge=lfs -text
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+ paracetamol/train.extxyz filter=lfs diff=lfs merge=lfs -text
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+ paracetamol/val.extxyz filter=lfs diff=lfs merge=lfs -text
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+ quartz/test.extxyz filter=lfs diff=lfs merge=lfs -text
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+ quartz/train.extxyz filter=lfs diff=lfs merge=lfs -text
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+ quartz/val.extxyz filter=lfs diff=lfs merge=lfs -text
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+ water/test.extxyz filter=lfs diff=lfs merge=lfs -text
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+ water/train.extxyz filter=lfs diff=lfs merge=lfs -text
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+ water/val.extxyz filter=lfs diff=lfs merge=lfs -text
example/test.extxyz ADDED
The diff for this file is too large to render. See raw diff
 
example/train.extxyz ADDED
The diff for this file is too large to render. See raw diff
 
example/val.extxyz ADDED
The diff for this file is too large to render. See raw diff
 
paracetamol/test.extxyz ADDED
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paracetamol/train.extxyz ADDED
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