Published July 9, 2024
| Version v1
Model
Open
Pre-training with Fractional Denoising to Enhance Molecular Property Prediction
Description
The pre-trained models described in the paper "Pre-training with Fractional Denoising to Enhance Molecular Property Prediction" are available for various tasks. Below are the details of each pre-trained model:
- Pre-trained model for QM9:
- Filename:
step=399999-epoch=8-val_loss=0.1422-test_loss=0.2784-train_per_step=0.1512.ckpt
- Filename:
- Pre-trained model for Force Prediction (MD17, MD22, ISO17):
- Filename:
step=105583-epoch=15-val_loss=0.1718-test_loss=0.1715-train_per_step=0.1750.ckpt
- Filename:
- Pre-trained model for LBA:
- Filename:
step=199999-epoch=14-val_loss=0.3943-test_loss=0.3931-train_per_step=0.3914.ckpt
- Filename:
Files
Files
(278.6 MB)
Name | Size | Download all |
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md5:f35ad631d0c4e01bd73a0460c3cd579b
|
17.3 MB | Download |
md5:3e0fe247774048e20746439166e002da
|
174.6 MB | Download |
md5:9e2853d02f5499af32cc877ffae89b87
|
86.7 MB | Download |