v0.0.4 - Improved simulation pipelines, added multi-fidelity learning

This update marks some major changes in stability and a few in API:

• The redox property calculation has been made more robust, enough to evaluate 100k+ redoxmer energies at PM7 level
• The Scorer classes now support using multiple fidelities of data for training and inference

What's Changed

• Add BLYP//DZVP to checks by @WardLT in #93
• Fix adiabatic redox energy being larger than vertical by @WardLT in #96
• Screen conformers by whether optimized by @WardLT in #98
• Ensure that failed relaxations throw errors by @WardLT in #100
• Add code for creating initial datasets via brute force by @WardLT in #101
• Add ability to recover recipe from name by @WardLT in #103
• Initial models using updated datasets by @WardLT in #104
• Introduce multi fidelity learning by @WardLT in #105

Full Changelog: v0.0.3...v0.0.4