Molscore

Increased efficiency of benchmark metrics with additional parallelisation

- Add simplified PoseCheck implementation
- Refactor replay buffer
- Bug fix on GypsumDL refactor

Fix to RAScore installation

Built in replay buffer
SMILES augmentation
Tutorial for replay buffer

- Avoid RDKit deprecation of MolStandardize.Standardizer() but maintain behaviour with original MolVS

- GUI improvements
- Select single tasks specifying the benchmark first e.g., `GuacaMol:Albuterol_similarity`
- Override config `n_jobs` by specifying command line environment variable `MOLSCORE_NJOBS` or `MOLEVAL_NJOBS`
- Bug fixes & dependency removals