MolLens is a novel pipeline for elucidating structures from mass spectrometry data.
-
Clone the repository:
git clone https://github.com/sangeet01/MolLens.git cd MolLens -
Install dependencies:
pip install -r requirements.txt
Apache License 2.0 - see LICENSE file.
A paper describing MolLens will be uploaded to arXiv.
Fork the repo, submit pull requests, or report issues. Contact Sangeet S. via LinkedIn for collaboration.
Contributions to Nature_MS are welcome! Please fork the repository, make your changes, and submit a pull request. For questions or to discuss potential contributions, contact Sangeet Sharma on LinkedIn.
PS: Sangeet's the name, a daft undergrad splashing through chemistry and code like a toddler—my titrations are a mess, and I've used my mouth to pipette.