Arun

Extracting payload hash from network traffic

6

I was wondering whether it would be possible to extract payload or the payload hash from network traffic along with the fingerprints using mercury. Are there any options for it?...

Fixing warnings, errors in docs build

2

DeepChem documentation build is having some errors and warnings ([ref](https://github.com/deepchem/deepchem/runs/7252621714?check_suite_focus=true#step:6:8)). It will be good to fix them and clean it up

Adding CI tests for python 3.10

12

A summary of changes: - Added support for python 3.10, removed support for 3.7 - Made 3.8 as main version

On argument types to deepchem layers

3

DeepChem has pytorch, tensorflow and jax layers. Different layers use different array data types for computation (ex: pytorch - torch.Tensor, jax - jnp.ndarray). A broad question here is what should...

Support for COLL Dataset

1

COLL Dataset is a dataset of molecular dynamic simulations of molecular collisions. The dataset contains energies and forces of a random snapshot of 140, 000 collision simulations of molecules. It...

Random hyperparameter search in deepchem

1

A tool - a function in Hyperparameter tuning to perform a random hyperparameter search can aid DeepChem's hyperparameter search better ([ref](https://www.jmlr.org/papers/volume13/bergstra12a/bergstra12a.pdf)).

Update Dockerfile

3

We need to update dockerfiles present in `docker` folder to reflect latest version and installation procedures.

Updating deepchem.feat.graph_data.GraphData

14

## 🚀 Feature DeepChem currently uses `dc.feat.graph_data.GraphData` for handling graphs. I think it will be more apt for `GraphData` to be under the `dc.data`, thereby making them a fundamental data...

Steps to reproduce: ``` import numpy as np import tensorflow as tf featurizer = dc.feat.WeaveFeaturizer() X = featurizer(["C", "CC"]) y = np.array([[1], [0]]) dataset = dc.data.NumpyDataset(X, y) model = dc.models.WeaveModel(n_tasks=1,...

In DeepChem's test for model [reloads](https://github.com/deepchem/deepchem/blob/master/deepchem/models/tests/test_reload.py), some tests have the following workflow: 1. Generate a dummy dataset 2. Create a model 3. Train the model 4. Eval model on train...