Plugins to enable common scientific and machine learning type to be saved by mincePy
Project description
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(unfortunately the pypi version is out of date and so you should use an updated version from here).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.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
File details
Details for the file mincepy_sci-0.1.8.tar.gz.
File metadata
- Download URL: mincepy_sci-0.1.8.tar.gz
- Upload date:
- Size: 145.3 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.7.1 importlib_metadata/4.10.0 pkginfo/1.8.2 requests/2.27.1 requests-toolbelt/0.9.1 tqdm/4.62.3 CPython/3.8.12
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 31a417fa45582096fd826c446f0c87b0bde65d3d51841be3aeb4448f161c1f94 |
|
| MD5 | 486ee00e6342352e57493ff461860935 |
|
| BLAKE2b-256 | 42fb9acf1a2e605816952de880071845504a1a82c654731d99fee8284d37c6f1 |
File details
Details for the file mincepy_sci-0.1.8-py2.py3-none-any.whl.
File metadata
- Download URL: mincepy_sci-0.1.8-py2.py3-none-any.whl
- Upload date:
- Size: 16.1 kB
- Tags: Python 2, Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.7.1 importlib_metadata/4.10.0 pkginfo/1.8.2 requests/2.27.1 requests-toolbelt/0.9.1 tqdm/4.62.3 CPython/3.8.12
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | a08ecc640168a7d9a962a9138349622c272b4cc3cd2edceefb41c8c3df0cc0ec |
|
| MD5 | 965ef3069a7521acafa27bbdc403d0e9 |
|
| BLAKE2b-256 | c6414f2544c48b1f745fffb336c007599a4835fef91a0855afc56169541ca79e |
