Comments (5)
Sorry for the inconvience! This is because I set the default files as v2 datasets instead of v4 datasets. The easiest way to change this is to inherit the datasets.AlphaFoldDB
class and rewrite the urls
and md5s
attributes here. The class will check the downloaded files according to filenames in urls
and check the md5
values.
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Oh, I found that on the web the dataset's version turns to v4 instead of v2. So If I just used v4 dataset, will it have an effect on the experiments? Addtionally, how did I use v4?
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I think it's okay to use v4 instead of v2. The pre-training dataset doesn't have a large effect on the final performance.
from gearnet.
I think it's okay to use v4 instead of v2. The pre-training dataset doesn't have a large effect on the final performance.
I have downloaded the v4 dataset and put it into the correct directory. However, when I tried to run the command python script/pretrain.py -c config/pretrain/mc_gearnet_edge.yaml --gpus [0]
, the program still started to download the v2 dataset. I don't know how to deal with this condition.
from gearnet.
I think this url issue is resolved in the updated version(0.2.1)
Installing the updated torchdrug fixed this
Use: pip install torchdrug==0.2.1
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Related Issues (20)
- confusion on epochs HOT 3
- Solution when alpha carbon coordinate is missing HOT 1
- RuntimeError: addmm: Argument #3 (dense), for training ESM_GearNet on EC
- Pre-training on different datasets HOT 1
- Pre-trained weight for ESM-GearNet HOT 4
- secondary structure evaluation HOT 2
- Node classification tasks HOT 3
- Custom dataset. Data preprocessing HOT 1
- Asking about implementation of series connection of PLM & GNN in the FusionNetwork. HOT 2
- Passing CIF files directly into GearNet? HOT 2
- Inference on PDB file by conversion into torchdrug.data.PackedProtein or TorchDrug.data.Protein HOT 5
- TypeError: metaclass conflict: the metaclass of a derived class must be a (non-strict) subclass of the metaclasses of all its bases HOT 2
- What is input (Tensor) – input node representations for GearNet HOT 1
- Extract the structure embeddings HOT 1
- RuntimeError: shape '[31, 147]' is invalid for input of size 651 in extracting embbeding from pdb files HOT 6
- Seeking help for dataset HOT 4
- Problems in using FC dataset HOT 2
- Problems in using "fold_mc_gearnet_edge_ieconv.pth"
- how Fmax and AUPRC are calculated?
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