1 file was added to this release more than 14 days after its initial publication. Inspect the release files before installing.
Libdescriptor
Supported Python versions: 3.8, 3.9, 3.10
Libdescriptor is a high performance descriptor library for providing access to fully differentiable descriptor functions.
While libdescriptor is a general purpose descriptor library, it's API compatible with KIM models and associated projects.
This will also provide uniform access to various selected descriptors for KLIFF using Pybind11 ports.
For gradient calculations, Libdescriptor relies on Enzyme AD, which provides it with capability to trivially generate near analytical performance gradient functions.
Use of Enzyme AD enables Libdescriptor to not only provide gradients against coordinates, but against hyperparameters as well, thus opening way for better optimized descriptors.
This should enable rapid development, extension and deployment of various descriptors.
Installation
For AMD/Intel based Linux systems, we provide a precompiled binary package for libdescriptor. It can be installed using
pip install libdescriptor
Github Source: libdescriptor
1 maintainer
Metadata
1 maintainer
Release files for libdescriptor 0.2.3
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Built distributions (wheels)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| libdescriptor-0.2.3-py3-none-manylinux_2_5_x86_64.whl | Python 3 | none | Linux glibc 2.5+ x86-64 | Details |
| libdescriptor-0.2.3-py3-none-macosx_11_0_arm64.whl | Python 3 | none | macOS 11.0+ ARM64 | Details |
Total release size: 16.2 MB
Release files / libdescriptor-0.2.3-py3-none-manylinux_2_5_x86_64.whl
| Download URL | libdescriptor-0.2.3-py3-none-manylinux_2_5_x86_64.whl |
|---|---|
| Size | 14.4 MB |
| Tags | Linux glibc 2.5+ x86-64 Python 3 |
|
SHA-256 checksum How to use checksums |
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Release files / libdescriptor-0.2.3-py3-none-macosx_11_0_arm64.whl
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| Download URL | libdescriptor-0.2.3-py3-none-macosx_11_0_arm64.whl |
|---|---|
| Size | 1.8 MB |
| Tags | Python 3 macOS 11.0+ ARM64 |
|
SHA-256 checksum How to use checksums |
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Security for libdescriptor 0.2.3
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