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braceal
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molecules
Machine learning for molecular dynamics.
MIT License
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Feature/h5 merger
#45
braceal
closed
3 years ago
0
Amp dev
#44
braceal
closed
3 years ago
0
Use interpolate in resnet decoder
#43
braceal
opened
3 years ago
0
display helpful value error if no files are found in directory for traj_to_dset.py
#42
braceal
closed
3 years ago
0
Add weight initialization hparam
#41
braceal
opened
3 years ago
0
Testing h5py
#40
braceal
closed
3 years ago
1
Add h5 chunking to datasets
#39
braceal
closed
3 years ago
0
Feature/point cloud
#38
braceal
closed
3 years ago
0
resnet vae latent dim restriction
#37
braceal
closed
3 years ago
0
Dev
#36
braceal
closed
3 years ago
0
issue with storing all the embedding vectors on the node for the big data.
#35
braceal
opened
3 years ago
0
Add point cloud data to datasets
#34
braceal
closed
3 years ago
4
implement a cropping transform
#33
braceal
opened
3 years ago
0
Add fraction of native contact to contact map dataloader and vae train loop
#32
braceal
opened
3 years ago
0
merge, now really
#31
azrael417
closed
3 years ago
0
yaml parameter file
#30
braceal
opened
3 years ago
1
Point AAE and other fixes
#29
azrael417
closed
3 years ago
0
Feature/rmsd fnc dataset
#28
braceal
closed
3 years ago
0
Feature/rectangle cm resnet
#27
braceal
closed
3 years ago
0
"CUDA error: invalid device ordinal" when non 0 gpus are specified.
#26
braceal
closed
3 years ago
3
Feature/hdf5 dataset
#25
braceal
closed
4 years ago
0
Feature tsne
#24
braceal
closed
4 years ago
0
Feature rectangle cm
#23
braceal
closed
4 years ago
0
Rectangular contact matrices
#22
braceal
opened
4 years ago
0
t-SNE callback
#21
braceal
closed
3 years ago
1
Example pytorch
#20
braceal
closed
4 years ago
0
Feature logging
#19
braceal
closed
4 years ago
0
Tensorboard on server
#18
braceal
closed
3 years ago
0
Feature checkpoints
#17
braceal
closed
4 years ago
0
Feature resnet autoencoder
#16
braceal
closed
4 years ago
0
Pytorch cvae
#15
braceal
closed
4 years ago
0
Encoder/Decoder base classes
#14
braceal
opened
4 years ago
0
ConvTranspose2d in PyTorch
#13
braceal
opened
4 years ago
1
Additional unsupervised models
#12
braceal
opened
4 years ago
3
removed gym dependency
#11
braceal
closed
4 years ago
0
Feature/clustering
#10
braceal
closed
4 years ago
0
Update model save load
#9
braceal
closed
4 years ago
0
updated dropout hparam name to be more descriptive
#8
braceal
closed
4 years ago
0
Update embedding callback
#7
braceal
closed
4 years ago
0
Update vae
#6
braceal
closed
4 years ago
0
updated get_final_conv_params name to suggest public ussage. Made it …
#5
braceal
closed
4 years ago
0
Update encoder decoder
#4
braceal
closed
4 years ago
0
Update hyperparams
#3
braceal
closed
4 years ago
0
updated contact matrix reporter. removed unnecessary imports. now wor…
#2
braceal
closed
4 years ago
0
Fix imports
#1
braceal
closed
4 years ago
0
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