morph / qm9 /explicit_h

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History: 3 commits

maltefranke

Discover QM9 and GEOM epoch 100; order model tables QM9, GEOM-Drugs, ChEMBL

1117e49 verified 11 days ago

runtime
Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
README.md
809 Bytes
Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
atom_tokens.txt
10 Bytes
Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
charge_tokens.txt
7 Bytes
Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
config.yaml
10.3 kB
Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
distributions.json
1.3 kB
Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
distributions.pt
2.59 kB
xet

Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
edge_tokens.txt
18 Bytes
Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
epoch_1000.ckpt
509 MB
xet

Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
epoch_1500.ckpt
509 MB
xet

Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
manifest.json
23.3 kB
Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
metadata.json
1.4 kB
Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
training_bundle.json
2.06 kB
Discover QM9 and GEOM epoch 100; order model tables QM9, GEOM-Drugs, ChEMBL 11 days ago
training_bundle.tar.gz
424 kB
xet

Place training config bundles alongside each model and simplify documentation 12 days ago
training_config.yaml
12 kB
Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago
validation.json
781 Bytes
Add GEOM-Drugs epoch 100 and QM9 epochs 1000 and 1500 with inference assets 11 days ago