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Datasets:
OneScience-Group
/
water

Languages:
English
Chinese
ArXiv:
Tags:
water
MACE
molecular dynamics
extxyz
potential energy surface
License:
Dataset card Files
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Files changed (3) hide show
  1. README.md +1 -1
  2. data/water/water_test.xyz +0 -0
  3. metadata/sha256_manifest.txt +3 -4
README.md CHANGED
@@ -61,7 +61,7 @@ Each configuration consists of an atom-count line, a comment line, and atom line
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  Download the dataset:
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  ```bash
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- hf download --dataset OneScience-Sugon/water --local-dir ./data
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  ```
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  Download the dataset:
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  ```bash
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+ hf download --dataset OneScience-Group/water --local-dir ./data
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  ```
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data/water/water_test.xyz CHANGED
The diff for this file is too large to render. See raw diff
 
metadata/sha256_manifest.txt CHANGED
@@ -1,4 +1,3 @@
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- 5e2ec3b4b1334e012daa6a2e2dbd138108c41c7b6f692ff89b8747b81cadfdbc dataset_1593.xyz
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- ab67f9beae43e3d2903b1b7231d029409821c03dff996e19e6c0f750714b8d72 gene_xyz.py
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- 1faafb64ae7cf039e3322a0f4b2366fecb9600d8771218a7ce579bcc29f398a3 water_test.xyz
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- f0e332b783e7c41ad84f476224a17b0946bbe4556d7fdd7b0c7fe3842fea6828 water_train.xyz
 
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