mincepy-sci

Plugins to enable common scientific and machine learning type to be saved by mincePy


Keywords
database, schemaless, nosql, orm, object-store, concurrent, optimistic-locking
License
LGPL-3.0
Install
pip install mincepy-sci==0.1.5

Documentation

mincePy Sci

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mincePy: move the database to one side and let your objects take centre stage.

MincePy Sci is a set of plugins for mincePy that enable common scientific data formats to be saved.

See mincepy documentation for more information.

This plugin provide support for:

e3nn:
  • o3:
    • Irrep and Irreps
    • ReducedTensorProduct
    • TensorProduct
    • TensorSquare
  • nn:
    • Gate
    • Shortcut
    • Extract
    • Activation
  • math:
    • normalize2mom
ase:
  • Atoms
  • Cell
numpy:
  • ndarray
pandas:
  • DataFrame
plams:
  • Settings
  • Molecule
  • Results
pyilt2:
  • dataset

(unfortunately the pypi version is out of date and so you should use an updated version from here).

pymatgen:
  • Structure
  • Molecule
  • BandStructure
  • CompleteDos
  • PeriodicSite
pytorch:
  • Tensor
  • Conv2d
  • MaxPool2d
  • Linear
  • ModuleList
  • ModuleDict
rdkit:
  • Mol

Contributing

We'd love to get more data types supported by mincePy! For now, the easiest way is to follow the examples set by the existing types and contribute a PR. If you'd like more (i.e. any) documentation on how to do this or would like to request that someone with more expertise makes a plugin just create an issue and we'll see what we can do.