| Name | Version | Summary | date |
| metatrain |
2025.9 |
Training and evaluating machine learning models for atomistic systems. |
2025-08-18 09:34:07 |
| ivybloom |
0.4.0 |
Command-line interface for computational biology and drug discovery |
2025-08-17 05:38:27 |
| metatensor-core |
0.1.15 |
Python bindings for metatensor |
2025-07-29 12:14:35 |
| pet-mad |
1.3.1 |
A universal interatomic potential for advanced materials modeling |
2025-07-18 15:33:19 |
| featomic |
0.6.1 |
Computing representations for atomistic machine learning |
2025-02-21 12:33:41 |
| metatensor-torch |
0.7.2 |
TorchScript bindings for metatensor |
2025-02-18 11:52:34 |
| metatensor-operations |
0.3.2 |
Operations to manipulate metatensor data types |
2025-02-18 09:13:46 |
| metatensor-learn |
0.3.1 |
Building blocks for the atomistic machine learning models based on PyTorch and NumPy |
2025-02-03 16:26:12 |
| featomic-torch |
0.6.0 |
TorchScript bindings to featomic |
2025-01-08 19:09:12 |
| ringtail |
2.1.1 |
Package for creating database from virtual screening files and performing filtering on results. |
2024-12-12 18:13:35 |