Datasets:

bi0s
/

mol_ae_data

Modalities:

Formats:

Size:

Libraries:

Dataset card Data Studio Files Files and versions

48.9 GB

1 contributor

History: 21 commits

bi0s's picture

Upload docking_dataset_ca_pair.pt with huggingface_hub

0f2c86a verified about 2 months ago

docking
Upload docking/processed_test_data.pt with huggingface_hub 2 months ago
lmdb_geom
Upload folder using huggingface_hub 4 months ago
lmdb_mp_20
Upload folder using huggingface_hub 4 months ago
lmdb_qm9
Upload folder using huggingface_hub 4 months ago
lmdb_qmof
Upload folder using huggingface_hub 4 months ago
materials
Upload folder using huggingface_hub 4 months ago
pdbs
Upload folder using huggingface_hub 2 months ago
.gitattributes

3.42 kB
Upload folder using huggingface_hub 4 months ago
.gitkeep

0 Bytes
Upload folder using huggingface_hub 4 months ago
afdb.tar.gz

17.9 GB
xet

Upload afdb.tar.gz with huggingface_hub 3 months ago
alphadb.pt

2.55 GB
xet

Upload folder using huggingface_hub 3 months ago
centered_train_data_all.pt

6.68 GB
xet

Upload centered_train_data_all.pt with huggingface_hub 2 months ago
docking_dataset_ca.pt

918 MB
xet

Upload docking_dataset_ca.pt with huggingface_hub about 2 months ago
docking_dataset_ca_pair.pt
Detected Pickle imports (4)
- "numpy.ndarray",
- "_codecs.encode",
- "numpy.core.multiarray._reconstruct",
- "numpy.dtype"
How to fix it?
791 MB
xet

Upload docking_dataset_ca_pair.pt with huggingface_hub about 2 months ago
genie_afdb.pt

3.06 GB
xet

Upload genie_afdb.pt with huggingface_hub 3 months ago
genie_afdb_w_cath.pt

3.1 GB
xet

Upload genie_afdb_w_cath.pt with huggingface_hub 3 months ago
inference_outputs_150_ema_noise_25.tar.gz

11.5 MB
xet

Upload inference_outputs_150_ema_noise_25.tar.gz with huggingface_hub 2 months ago
lig_dataset_all.pt

479 MB
xet

Upload lig_dataset_all.pt with huggingface_hub 2 months ago
mp_20_all.csv

135 MB
xet

Upload folder using huggingface_hub 4 months ago
mp_20_num_nodes_bincount.pt
Detected Pickle imports (3)
- "torch.LongStorage",
- "collections.OrderedDict",
- "torch._utils._rebuild_tensor_v2"
What is a pickle import?
1.36 kB
xet

Upload folder using huggingface_hub 4 months ago
pdbs.tar.gz

919 kB
xet

Upload pdbs.tar.gz with huggingface_hub 2 months ago
processed_geom_test.pt
Detected Pickle imports (2)
- "rdkit.Chem.rdchem.Mol",
- "_codecs.encode"
How to fix it?
218 MB
xet

Upload folder using huggingface_hub 4 months ago
processed_geom_train.pt

1.74 GB
xet

Upload folder using huggingface_hub 4 months ago
processed_geom_val.pt
Detected Pickle imports (2)
- "rdkit.Chem.rdchem.Mol",
- "_codecs.encode"
How to fix it?
217 MB
xet

Upload folder using huggingface_hub 4 months ago
processed_mp_20_test.pt
Detected Pickle imports (5)
- "numpy.core.multiarray.scalar",
- "numpy.core.multiarray._reconstruct",
- "numpy.ndarray",
- "numpy.dtype",
- "_codecs.encode"
How to fix it?
12.3 MB
xet

Upload folder using huggingface_hub 4 months ago
processed_mp_20_train.pt
Detected Pickle imports (5)
- "numpy.core.multiarray._reconstruct",
- "numpy.ndarray",
- "numpy.dtype",
- "_codecs.encode",
- "numpy.core.multiarray.scalar"
How to fix it?
37 MB
xet

Upload folder using huggingface_hub 4 months ago
processed_mp_20_train_cell_stats.yaml

954 kB
Upload folder using huggingface_hub 4 months ago
processed_mp_20_val.pt
Detected Pickle imports (5)
- "numpy.core.multiarray._reconstruct",
- "numpy.ndarray",
- "numpy.dtype",
- "_codecs.encode",
- "numpy.core.multiarray.scalar"
How to fix it?
12.3 MB
xet

Upload folder using huggingface_hub 4 months ago
processed_qm9_test.pt
Detected Pickle imports (2)
- "_codecs.encode",
- "rdkit.Chem.rdchem.Mol"
How to fix it?
8.44 MB
xet

Upload folder using huggingface_hub 4 months ago
processed_qm9_train.pt
Detected Pickle imports (2)
- "rdkit.Chem.rdchem.Mol",
- "_codecs.encode"
How to fix it?
62.9 MB
xet

Upload folder using huggingface_hub 4 months ago
processed_qm9_val.pt
Detected Pickle imports (2)
- "rdkit.Chem.rdchem.Mol",
- "_codecs.encode"
How to fix it?
12.9 MB
xet

Upload folder using huggingface_hub 4 months ago
processed_qmof_test.pt
Detected Pickle imports (5)
- "numpy.core.multiarray._reconstruct",
- "numpy.ndarray",
- "numpy.dtype",
- "_codecs.encode",
- "__builtin__.bytes"
How to fix it?
406 MB
xet

Upload folder using huggingface_hub 4 months ago
processed_qmof_train.pt

406 MB
xet

Upload folder using huggingface_hub 4 months ago
processed_qmof_val.pt

406 MB
xet

Upload folder using huggingface_hub 4 months ago
prot_dataset_all.pt

1.98 GB
xet

Upload prot_dataset_all.pt with huggingface_hub 2 months ago
prot_dataset_all_512_len.pt
Detected Pickle imports (4)
- "numpy.dtype",
- "numpy.ndarray",
- "_codecs.encode",
- "numpy.core.multiarray._reconstruct"
How to fix it?
1.18 GB
xet

Upload prot_dataset_all_512_len.pt with huggingface_hub about 2 months ago
qm9_num_nodes_bincount.pt
Detected Pickle imports (3)
- "torch._utils._rebuild_tensor_v2",
- "torch.LongStorage",
- "collections.OrderedDict"
What is a pickle import?
1.72 kB
xet

Upload folder using huggingface_hub 4 months ago
qmof_num_nodes_bincount.pt
Detected Pickle imports (3)
- "torch._utils._rebuild_tensor_v2",
- "torch.LongStorage",
- "collections.OrderedDict"
What is a pickle import?
2.45 kB
xet

Upload folder using huggingface_hub 4 months ago
scope.pt
Detected Pickle imports (4)
- "torch.FloatStorage",
- "torch._utils._rebuild_tensor_v2",
- "collections.OrderedDict",
- "torch.BoolStorage"
What is a pickle import?
45.7 MB
xet

Upload folder using huggingface_hub 3 months ago
smiles.pt
Pickle imports
- No problematic imports detected
What is a pickle import?
4.5 MB
xet

Upload folder using huggingface_hub 4 months ago
spacegroups_bincount.pt
Detected Pickle imports (3)
- "torch.LongStorage",
- "torch._utils._rebuild_tensor_v2",
- "collections.OrderedDict"
What is a pickle import?
3.04 kB
xet

Upload folder using huggingface_hub 4 months ago
split_files.tar.gz

4.74 MB
xet

Upload split_files.tar.gz with huggingface_hub 2 months ago