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UniPath (complete)

Full contents of the UniPath working directory: ~983 GB across checkpoints, datasets and code.

Layout

Directories with a small number of large files are stored as plain files, so any single checkpoint can be downloaded on its own:

Path Files Size
ckpt/ 2826 620 GB
data/ 337 202 GB
ckpt_mol/ 439 14.7 GB
code_ignore/, code_ALIGNN_ignore/, code_mol_ignore/ 473 2.2 GB
ckpt_etflow/ 1 0.1 GB
data_mol/stable/qm9.tar.gz 1 0.8 GB

Directories holding hundreds of thousands of tiny files are stored under archives/ as split tar volumes, because uploading them file-by-file is not practical (data_MD_baseline alone contains 2.42 M files averaging 3.9 KB).

Archive set Volumes Size
data_MD_baseline 1 6.0 GB
data_mol__stable__rdkit_folder 10 50.1 GB
data_mol__stable__rdkit_folder_hf 10 50.1 GB
data_mol__unstable__Trans_1x 3 11.9 GB
data_mol__unstable__ANI_1x 2 6.2 GB
data_mol__unstable__Trans_1x_sub_qm9 2 5.5 GB
data_mol__unstable__ANI_1x_sub_qm9 1 2.6 GB
data_mol__unstable__DPA2_Drug 1 2.6 GB
data_mol__stable__QM9 1 2.0 GB
data_mol__unstable__ANI_1x_Sub1M 1 1.3 GB
data_mol__unstable__Trans_1x_sub1M 1 1.2 GB
data_mol__stable__processed 1 0.7 GB
code_ignore, code_ALIGNN_ignore, code_mol_ignore, ckpt_etflow 1 each 2.5 GB

__ in an archive name is a path separator: data_mol__stable__rdkit_folder unpacks to data_mol/stable/rdkit_folder.

The code_* archives duplicate the plain code_*/ directories, with one difference: the archives include each project's .git directory, which the plain upload omits.

Restoring an archive set

Volumes are pieces of one tar stream and must be concatenated in order:

hf download Wthinker/UniPath_Complete \
  --include "archives/data_mol__stable__rdkit_folder.tar.*" \
  --local-dir .

cat archives/data_mol__stable__rdkit_folder.tar.* | tar -xf -

Single-volume sets work the same way:

cat archives/data_MD_baseline.tar.000 | tar -xf -
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