[Batch] Complete Olinda v1

[GemmaTuron]

The Olinda package has had several stages of development. We aim now to complete a fully working version of Olinda, v1, which will be focused on ZairaChem models (see ersilia-os/zaira-chem#32) but have the modular functionality to easily adapt to other models, like third-party models in the Ersilia Model Hub.

To that end, there are several improvements to be made before merging @JHlozek branch into the main repository. Once this v1 is complete, @miquelduranfrigola and @GemmaTuron will work to convert ZairaChem to individual modules (ersilia-os/zaira-chem#30) and in turn, Olinda if necessary.

Below a general guide of the tasks to be completed to that end, and the issues related to it:

• Include automated check in Olinda for the descriptors that are calculated Automatically check which ZairaChem descriptors are being used #9
• Olinda install instructions modularity with ZairaChem optional Install instructions with optional packages #10
• Adding CLI commands in Olinda Olinda CLI commands #11
• Adding CLI command to ZairaChem Add CLI command for distillation zaira-chem#47
• Refactoring Olinda's files and repo structure to standard Refactoring files for better modularity #12
• Eliminate unnecessary prints Hidden prints improvement #13
• Identify best parameters for ZairaChem Model Distillation Select best parameters for Olinda distillation zaira-chem#46
• Benchmark Olinda with TDC dataset Benchmarking Olinda with TDC #7

[GemmaTuron]

@JHlozek has made an amazing work on all the above issues. Please open a PR to merge both Olinda and ZairaChem forks into the main code and we (@miquelduranfrigola and @GemmaTuron) will take it up. We will open issues related to the reformatting and modularity of Zairachem/Olinda + documentation for end users as we advance