aiproteomics - v0.6.0

What's Changed

• Remove unused config file by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/89
• 84 set up weights and biases by @dsmits in https://github.com/aiproteomics/aiproteomics/pull/90
• Add psm2speclib conversion utility by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/92
• Convert output layer of a (general) parameterized model to a spectral library by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/96
• Fix bug in m/z calculation not using charge when subtracting neutral losses by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/100
• Add example notebooks and tests by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/101

Full Changelog: https://github.com/aiproteomics/aiproteomics/compare/v0.3.0...v0.6.0

- Jupyter Notebook
Published by raar1 about 1 year ago

aiproteomics - v0.3.0

What's Changed

• 70 inspect what type of data is doing well on the model by @dsmits in https://github.com/aiproteomics/aiproteomics/pull/75
• Remove poetry by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/88

Full Changelog: https://github.com/aiproteomics/aiproteomics/compare/v0.2.1...v0.3.0

- Jupyter Notebook
Published by raar1 over 1 year ago

aiproteomics - v0.2.1

What's Changed

• Use trusted publisher workflow pypi by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/74

Full Changelog: https://github.com/aiproteomics/aiproteomics/compare/v0.2.0...v0.2.1

- Jupyter Notebook
Published by raar1 over 1 year ago

aiproteomics - v0.2.0

What's Changed

• Fix failing macos workflow by @JaroCamphuijsen in https://github.com/aiproteomics/aiproteomics/pull/71
• Add early fusion model by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/72
• Bump for new release 0.2.0 by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/73

New Contributors

• @JaroCamphuijsen made their first contribution in https://github.com/aiproteomics/aiproteomics/pull/71

Full Changelog: https://github.com/aiproteomics/aiproteomics/compare/v0.1.1...v0.2.0

- Jupyter Notebook
Published by raar1 over 1 year ago

aiproteomics - v0.1.1

What's Changed

• Testing branch spectral angle calc by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/46
• Return the spectral angle plot so that more can be done with it by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/47
• Formatted with black (but with line length of 100) by @dsmits in https://github.com/aiproteomics/aiproteomics/pull/56
• Upgraded tensorflow by @dsmits in https://github.com/aiproteomics/aiproteomics/pull/59
• 54 convert dataset loader to tfds framework thing by @dsmits in https://github.com/aiproteomics/aiproteomics/pull/60
• Ignoring lock files form now on by @dsmits in https://github.com/aiproteomics/aiproteomics/pull/61
• Refactor speclib generation for large file sizes by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/62
• Add demo spectral angle comparison notebook by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/63
• Add new e2e example notebook by @tvpham in https://github.com/aiproteomics/aiproteomics/pull/64
• Add pypi publishing workflow by @raar1 in https://github.com/aiproteomics/aiproteomics/pull/67

New Contributors

• @tvpham made their first contribution in https://github.com/aiproteomics/aiproteomics/pull/64

Full Changelog: https://github.com/aiproteomics/aiproteomics/compare/v0.1.0...v0.1.1

- Jupyter Notebook
Published by raar1 almost 2 years ago

aiproteomics - v0.1.0

First basic release - Implementation of transformer fragmentation model and iRT model. Implementation of end-to-end spectral library generation of .msp files, adapted from prosit code.

- Jupyter Notebook
Published by raar1 almost 3 years ago