Manan Goel

Restructuring training visualization and adding support for Weights & Biases Logger

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This PR redesigns the logging system in GAN without changing any of the console logging. The proposed change is to have a BaseLogger class from which new loggers can inherit....

Patch to make saving model checkpoints optional in W&B Callback

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This PR adds an argument `log_checkpoint` to the `WandbCallback` which is set as `False` by default. Using this users can enable or disable logging model checkpoints to the W&B dashboard.

Updated WandbLogger to make uploading model checkpoints optional

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This PR adds a minor patch to the WandbLogger integration to make saving model checkpoints to the W&B dashboard optional. To save checkpoints to the dashboard, the users just need...

ACNN not working with dgl batch

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To recreate ``` from dgllife.model.model_zoo.acnn import ACNN import dgl from rdkit import Chem from rdkit.Chem import AllChem import torch from dgllife.utils import ACNN_graph_construction_and_featurization model = ACNN() protein = Chem.MolFromPDBFile("./6LU7.pdb") protein_pos...

[Feature Request] Faster loading of csv files into MoleculeDataset objects

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In the current implementation of the `load_csv` and `load_smiles` methods of the `MoleculeDataset`, the smiles are converted to graphs and molecule objects sequentially. This can be made significantly faster by...

Bug fix to log model checkpoints as artifacts

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## Description This PR fixes the WandbLogger.log_artifact method which was initially overwriting the provided `artifact` argument. Moreover, in order to save models as artifacts, it adds the `runner.log_artifact` call to...

The PR addresses this [issue](https://issues.jenkins.io/browse/JENKINS-71955). While setting up a GitLab multipipeline project or organization folders, a user can choose to not provide any credentials which can lead to an error...