Comments (1)
The 3D model indeed is not pretrained and we do not provide any 3D model that is pretrained in this repository.
The point of 3DInfomax is to embue a 2D model with reasoning about 3D structure.
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Related Issues (19)
- having trouble training for GEOM-Mol + trained models HOT 5
- DglPCQM4MDataset ImportError for inference HOT 5
- Fine-tuning a model with moltox21 dataset - error HOT 1
- Some questions about 3DInfomax HOT 1
- Help HOT 2
- Embedding views in NTXentMultiplePositiveLoss HOT 1
- "conda env create" problem HOT 1
- pretrain loss with negative value HOT 4
- RuntimeError: Error(s) in loading state_dict for PNA: size mismatch for node_gnn.atom_encoder.atom_embedding_list.1.weight: copying a param with shape torch.Size([4, 200]) from checkpoint, the shape in current model is torch.Size([5, 200]).
- ResolvePackageNotFound in Windows HOT 2
- classification yml file
- generating a fingerprint HOT 6
- Having trouble pre-training with example code HOT 4
- Linked video freezes HOT 1
- Fine-tuning a model with `BACEGeomol` dataset - error when collating HOT 4
- What model is gin.py? HOT 4
- What is the MAE of QM9? Which parameter in the following operation result is Mean Absolute Error? Thank you. HOT 1
- Where is the "bbbpscaffold123.pkl"? And what is the "bbbpscaffold123.pkl"? HOT 1
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