Molscore

Latest version: v1.9.1

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1.9.1

Post-run metrics are now only run if explicitly stated in `include` or defined by the benchmark.
These can be viewed in the attribute `ScoreMetrics.metric_descriptions`.

1.9.0

Main changes:
- Addition of MolExp benchmark, preprint [here](https://arxiv.org/abs/2501.19153).

Other changes:
- Can now return MolEval metric distributions
- Store additional key-value pairs at score time
- Split NJOB shell specification for molscore and moleval separately

1.8.4

Minor improvements to multiprocessing implementation

1.8.3

Increased efficiency of benchmark metrics with additional parallelisation

1.8.2

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

1.8.1

Fix to RAScore installation

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