Here is a quick summary of DeepChem updates for the 4th week of October, including the following merged pull requests:
1. Orbparams: Adds Orbital Parameter converter used in hamiltonian classes and includes documentation modifications and includes addition of a new feature.
2. Atomic Contributions bug fix: This PR Fixes an issue causing a sequence-related error when calculating atomic contributions, ensuring successful completion of the tutorial.
3. Bumping torch to 2.1.0 for CI: This PR addresses an issue by updating the torch version to 2.1.0 for CI purposes.
4. Parse Molecule Description: This PR contains a new ‘parse_moldesc’ utility function and some minor changes.
5. Spin Param and Val Grad: This PR introduces Spin Parameter and ValGrad functionality, significantly used in DFT, with documentation modifications.
6. Broadcast Utils [LinearOperator]: This PR adds Broadcast Utils for LinearOperator with documentation enhancements.
7. Mypy Fix: This PR addresses a mypy error and includes test fixes, clarifying that the function itself is error-free.