Molscore

Latest version: v1.9.1

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1.8.0

Built in replay buffer
SMILES augmentation
Tutorial for replay buffer

1.7.5

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

1.7.4

- 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

1.7

Addition of curriculum learning and documention

1.6.1

- Correct for rDock SDF bug when using pharmacophoric constraints

1.6

Addition of MolSkill

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