ramanathanlab mdlearn issues

ramanathanlab / mdlearn

Machine learning for molecular dynamics

MIT License

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issues

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Develop

#81 braceal closed 1 week ago
0
Preprocess

#80 braceal closed 1 week ago
0
Update RNG and inference_batch_size

#79 braceal closed 2 weeks ago
0
set random seeds

#78 braceal closed 3 weeks ago
0
Pyproject

#77 braceal closed 3 weeks ago
0
pyproject.toml update

#76 braceal closed 3 weeks ago
0
Pyproject

#75 braceal closed 3 weeks ago
0
AAE3dTrainer interface

#74 braceal closed 3 weeks ago
0
AAE trainer code and docs

#73 braceal closed 3 weeks ago
0
Develop

#72 braceal closed 2 months ago
0
Pydantic v2

#71 braceal closed 2 months ago
0
Update to pyproject.toml

#70 braceal opened 2 months ago
0
len(train_loader) is zero

#69 atbogetti closed 1 year ago
3
Pin pydantic version pydantic==1.10.2

#68 braceal closed 2 months 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