Add project: Asparagus

[LIVazquezS]

Project details:

• Project Name: Asparagus
• Github URL: https://github.com/MMunibas/Asparagus
• Category: General tools
• Labels: ML-IAP, ML-FF, CHARMM, MD
• License: MIT
• Package Managers: pip

Additional context:

[Irratzo]

Original publication https://doi.org/10.48550/arXiv.2407.15175 not linked in project README at time of writing. Add in manual description field instead.

• Description: Program Package for Sampling, Training and Applying ML-based Potential models https://doi.org/10.48550/arXiv.2407.15175

[Irratzo]

Hi @LIVazquezS , thank you for the addition of Asparagus. I'll be adding it momentarily like this.

- name: Asparagus
  github_id: MMunibas/Asparagus
  category: ml-iap
  labels: ["workflows", "sampling", "md"]
  License: MIT
  # package managers: none
  description: Program Package for Sampling, Training and Applying ML-based Potential models https://doi.org/10.48550/arXiv.2407.15175

Remarks.

• Why not category General Tools? The project is specific to ML-IAPs. The fact that it simplifies the whole ML-IAP pipeline for users is covered by the label "workflows", instead.
• Why Package Managers "none"? This field actually refers to package repositories. Accepted are these, scroll down to "Supported Integrations".