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ramanathanlab
/
mdlearn
Machine learning for molecular dynamics
MIT License
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Develop
#72
braceal
closed
1 month ago
0
Pydantic v2
#71
braceal
closed
1 month ago
0
Update to pyproject.toml
#70
braceal
opened
1 month ago
0
len(train_loader) is zero
#69
atbogetti
closed
11 months ago
3
Pin pydantic version pydantic==1.10.2
#68
braceal
closed
1 month ago
0
Develop
#67
braceal
closed
2 years ago
0
update default settings/docs
#66
braceal
closed
2 years ago
1
Develop
#65
braceal
closed
2 years ago
0
Feature/cvae
#64
braceal
closed
2 years ago
0
docs debug
#63
braceal
closed
2 years ago
0
docs debug
#62
braceal
closed
2 years ago
0
docs debug
#61
braceal
closed
2 years ago
0
adding numpy dependency
#60
braceal
closed
2 years ago
0
adding numpy dependency
#59
braceal
closed
2 years ago
0
Update/docs
#58
braceal
closed
2 years ago
0
made wandb an optional dependency
#57
braceal
closed
2 years ago
0
Develop
#56
braceal
closed
2 years ago
0
in memory datasets for point cloud
#55
braceal
closed
2 years ago
0
Torch is not an optional dependency
#54
braceal
closed
2 years ago
0
Import failure: from mdlearn.nn.models.aae.point_3d_aae import AAE3d
#53
braceal
closed
2 years ago
1
wandb TypeError
#52
braceal
closed
2 years ago
1
Try numba for acceleration of alignment, SD2, and SD4
#51
braceal
opened
2 years ago
0
plotly installation
#50
braceal
closed
2 years ago
1
Get the structure that corresponds to latent space point.
#49
stepdasha
opened
2 years ago
1
Consider using cupy.linalg.eigh to accelerate SD2
#48
masalim2
opened
3 years ago
0
CVAE filter shapes
#47
braceal
opened
3 years ago
0
Change checkpoint Trainer arg to checkpoint_path
#46
braceal
opened
3 years ago
0
non_blocking option
#45
braceal
opened
3 years ago
0
Update to use mypy
#44
braceal
opened
3 years ago
1
Add color mapper to plot_scatter
#43
braceal
opened
3 years ago
0
LinearAE latent embeddings should return z before the activation function is applied
#42
braceal
closed
3 years ago
0
Feature/lstm
#41
braceal
closed
3 years ago
0
Develop
#40
braceal
closed
3 years ago
1
SD4 interface
#39
braceal
opened
3 years ago
0
Update h5py version
#38
braceal
closed
3 years ago
0
Add optional latent space plotting for AE
#37
braceal
closed
3 years ago
0
Add Linear VAE model
#36
braceal
opened
3 years ago
0
ELU Activation for AE
#35
braceal
opened
3 years ago
0
LSTM model for feature vector time series inputs
#34
braceal
closed
3 years ago
1
Change LinearAE interface to hidden_neurons
#33
braceal
closed
3 years ago
1
Develop
#32
braceal
closed
3 years ago
1
Update README.md
#31
braceal
closed
3 years ago
0
CVAE Trainer class
#30
braceal
closed
2 years ago
0
Preprocessing functions
#29
braceal
opened
3 years ago
0
typo
#28
braceal
closed
3 years ago
0
Develop
#27
braceal
closed
3 years ago
1
Class API documentation not showing up
#26
braceal
closed
3 years ago
1
Other issue template
#25
braceal
closed
3 years ago
1
Update overview page in docs
#24
braceal
closed
2 years ago
0
update download_url
#23
braceal
closed
3 years ago
0
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