tomotwin-cryoet
tomotwin-cryoet copied to clipboard
Needs help even to reproduce tutorial
I installed TomoTwin with
pip install tomotwin-cryoet
Then embedding
TomoTwin_model="/home/kimd999/brave/DN/model/TomoTwin/model/tomotwin_latest_2024_Sep.pth"
input_tomo="tomo/tomo.mrc"
batch_size="256"
# If you run into memory issues, reduce the batchsize (-b).
CUDA_VISIBLE_DEVICES=0,1 tomotwin_embed.py tomogram -m $TomoTwin_model -v $input_tomo -b $batch_size -o out/embed/tomo/ -s 2
worked well since I didn't see an obvious error during this embedding as
Skip version check, as it failed with the following error:
<urlopen error [Errno 101] Network is unreachable>
###############################################
Found 2 GPU(s). Start DDP + Compiling.
reading /home/kimd999/brave/DN/model/TomoTwin/model/tomotwin_latest_2024_Sep.pth
reading /home/kimd999/brave/DN/model/TomoTwin/model/tomotwin_latest_2024_Sep.pth
Model config:
{'identifier': 'SiameseNet', 'network_config': {'output_channels': 32, 'dropout': 0.2, 'repeat_layers': 0, 'norm_name': 'GroupNor\
m', 'norm_kwargs': {'num_groups': 64, 'num_channels': 1024}, 'gem_pooling_p': 0}, 'train_config': {'loss': 'TripletLoss', 'tl_mar\
gin': 0.539, 'miner': True, 'miner_margin': 0.734, 'learning_rate': 5.945e-05, 'optimizer': 'Adam', 'weight_decay': 0, 'batchsize\
': 35, 'patience': 50, 'aug_train_shift_distance': 2}, 'distance': 'COSINE', 'window_size': (37, 37, 37)}
Embeddings have shape: (5083356, 35)
Wrote embeddings to disk to out/embed/tomo/tomo_embeddings.temb
Done.
Tomogram embedding completed in 0h:36m:9s.
However, generating umap with default n_neighbors
tomotwin_tools.py umap -i $output_of_embedding -o $output_of_umap
failed as
RuntimeError: RAFT failure at file=/opt/conda/conda-bld/work/cpp/src/umap/knn_graph/algo.cuh line=115: n_neighbors should be smaller than the graph degree computed by nn descent
Obtained 32 stack frames
Here (umap calculation), input file ($output_of_embedding) is tomo_embeddings.temb (output from embedding).
I know that default n_neighbors for TomoTwin umap is 200.