kernel-elastic-autoencoder 3.2.2__tar.gz → 3.2.3__tar.gz

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Files changed (11) hide show
  1. {kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/PKG-INFO +1 -1
  2. {kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/pyproject.toml +1 -1
  3. {kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/src/kernel_elastic_autoencoder/training.py +2 -3
  4. {kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/README.md +0 -0
  5. {kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/src/kernel_elastic_autoencoder/__init__.py +0 -0
  6. {kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/src/kernel_elastic_autoencoder/config.py +0 -0
  7. {kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/src/kernel_elastic_autoencoder/layers.py +0 -0
  8. {kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/src/kernel_elastic_autoencoder/losses.py +0 -0
  9. {kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/src/kernel_elastic_autoencoder/model.py +0 -0
  10. {kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/src/kernel_elastic_autoencoder/pipeline.py +0 -0
  11. {kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/src/kernel_elastic_autoencoder/tokenizer.py +0 -0
{kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: kernel_elastic_autoencoder
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- Version: 3.2.2
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+ Version: 3.2.3
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  Summary: Implementation of Kernel-Elastic Autoencoder for Molecular Design (https://doi.org/10.1093/pnasnexus/pgae168)
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  License: MIT
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  Author: Felix Rotter-McCartney
{kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/pyproject.toml RENAMED
@@ -1,6 +1,6 @@
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  [project]
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  name = "kernel_elastic_autoencoder"
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- version = "3.2.2"
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+ version = "3.2.3"
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  description = "Implementation of Kernel-Elastic Autoencoder for Molecular Design (https://doi.org/10.1093/pnasnexus/pgae168)"
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  authors = [
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  { name = "Felix Rotter-McCartney", email = "felix.rotter@mail.utoronto.ca" }
{kernel_elastic_autoencoder-3.2.2 → kernel_elastic_autoencoder-3.2.3}/src/kernel_elastic_autoencoder/training.py RENAMED
@@ -115,6 +115,7 @@ class Trainer:
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  accelerator.load_state(checkpoint)
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  curr_epoch = scheduler.scheduler.last_epoch + 1
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+ accelerator.wait_for_everyone()
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  for epoch in range(curr_epoch, self.config_typed.common.max_epochs):
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  model.train()
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  if accelerator.is_local_main_process:
@@ -140,9 +141,7 @@ class Trainer:
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  batch_bar = tqdm(
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  total=len(dataloader_train), desc=f"Epoch {epoch}, Test Batch"
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  )
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- for input_ids, conditions, token_mask, condition_mask in tqdm(
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- dataloader_test, desc=f"Epoch {epoch}, Test Batch"
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- ):
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+ for input_ids, conditions, token_mask, condition_mask in dataloader_test:
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  with torch.no_grad():
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  prediction, prediction_noise, latents_noise = model(
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  input_ids,