ramanathanlab/mdlearn

Issues

• Pin pydantic version pydantic==1.10.2

  #68 opened 4 months ago by braceal
  0

• Update to pyproject.toml

  #70 opened 4 months ago by braceal
  0

• len(train_loader) is zero

  #69 opened a year ago by atbogetti
  3

• CVAE Trainer class

  #30 opened 2 years ago by braceal
  0

• plotly installation

  #50 opened 2 years ago by braceal
  1

• Torch is not an optional dependency

  #54 opened 2 years ago by braceal
  0

• Update overview page in docs

  #24 opened 3 years ago by braceal
  0

• wandb TypeError

  #52 opened 3 years ago by braceal
  1

• Import failure: from mdlearn.nn.models.aae.point_3d_aae import AAE3d

  #53 opened 3 years ago by braceal
  1

• Try numba for acceleration of alignment, SD2, and SD4

  #51 opened 3 years ago by braceal
  0

• Get the structure that corresponds to latent space point.

  #49 opened 3 years ago by stepdasha
  1

• Consider using cupy.linalg.eigh to accelerate SD2

  #48 opened 3 years ago by masalim2
  0

• CVAE filter shapes

  #47 opened 3 years ago by braceal
  0

• Change checkpoint Trainer arg to checkpoint_path

  #46 opened 3 years ago by braceal
  0

• non_blocking option

  #45 opened 3 years ago by braceal
  0

• Update to use mypy

  #44 opened 3 years ago by braceal
  1

• Add color mapper to plot_scatter

  #43 opened 3 years ago by braceal
  0

• Add QAA-AE model

  #7 opened 4 years ago by braceal
  3

• Change LinearAE interface to hidden_neurons

  #33 opened 3 years ago by braceal
  1

• Update h5py version

  #38 opened 3 years ago by braceal
  0

• LinearAE latent embeddings should return z before the activation function is applied

  #42 opened 3 years ago by braceal
  0

• Add optional latent space plotting for AE

  #37 opened 3 years ago by braceal
  0

• Add a plotting option for raw coordinates

  #12 opened 3 years ago by braceal
  1

• LSTM model for feature vector time series inputs

  #34 opened 3 years ago by braceal
  1

• SD4 interface

  #39 opened 3 years ago by braceal
  0

• Add Linear VAE model

  #36 opened 3 years ago by braceal
  0

• ELU Activation for AE

  #35 opened 3 years ago by braceal
  0

• Add wandb sweep support for LinearAETrainer

  #15 opened 3 years ago by braceal
  1

• Other issue template

  #25 opened 3 years ago by braceal
  1

• Class API documentation not showing up

  #26 opened 3 years ago by braceal
  1

• Preprocessing functions

  #29 opened 3 years ago by braceal
  0

• Add ANCA+AE inference function

  #17 opened 3 years ago by braceal
  0

• Add optional walks parameter to ContactMapDataset

  #14 opened 3 years ago by braceal
  0

• Speed up SD4 encore computation

  #13 opened 3 years ago by braceal
  0

• AAE model trainer

  #11 opened 3 years ago by braceal
  1

• Add proper weight initialization for AAE3d model

  #6 opened 4 years ago by braceal
  0

• Add option for more linear layers in 3dAAE encoder

  #4 opened 4 years ago by braceal
  0

• Remove init_weights from VAE model constructor

  #3 opened 4 years ago by braceal
  0

• Logger

  #2 opened 4 years ago by braceal
  0