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Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

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Bumps [pymongo](https://github.com/mongodb/mongo-python-driver) from 4.6.0 to 4.6.1. Release notes Sourced from pymongo's releases. PyMongo 4.6.1 Release notes: https://www.mongodb.com/community/forums/t/pymongo-4-6-1-released/255752 Changelog Sourced from pymongo's changelog. Changes in Version 4.6.1 PyMongo 4.6.1 fixes the...

dependencies

Hi, we are trying to generate BispectrumCoefficients descriptors using the maml package, but we are experiencing some code problems that we hope you can answer. When running the site_describer.ipynb file...

Bumps [pymongo](https://github.com/mongodb/pymongo) from 4.6.3 to 4.7.0. Commits See full diff in compare view [![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=pymongo&package-manager=pip&previous-version=4.6.3&new-version=4.7.0)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores) Dependabot will resolve any conflicts with this PR as long as you don't alter...

dependencies

Bumps [torch](https://github.com/pytorch/pytorch) from 2.1.0 to 2.3.0. Release notes Sourced from torch's releases. PyTorch 2.3: User-Defined Triton Kernels in torch.compile, Tensor Parallelism in Distributed PyTorch 2.3 Release notes Highlights Backwards Incompatible...

dependencies

## Summary Major changes: - Feature 1: Added a default element ordering mechanism to the **'MTPotential.from_config()'** method, based on the convention of Pauling electronegativity. Currently, when a trained MTP is...

Bumps [cvxpy](https://github.com/cvxpy/cvxpy) from 1.4.2 to 1.4.3. Commits f66cfb3 release 1.4.3 6e58200 Patch 1.4.3 (#2409) e9a0edc Fixes doc_deploy (#2331) 0636955 prepare for 1.4.3 See full diff in compare view [![Dependabot compatibility...

dependencies

Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2024.3.1 to 2024.4.13. Release notes Sourced from pymatgen's releases. v2024.4.13 Hot fix release for v2024.4.12 to be yanked on PyPI due to materialsproject/pymatgen#3751. 🐛 Bug Fixes Revert...

dependencies

Bumps [scikit-learn](https://github.com/scikit-learn/scikit-learn) from 1.4.1.post1 to 1.4.2. Release notes Sourced from scikit-learn's releases. Scikit-learn 1.4.2 We're happy to announce the 1.4.2 release. This release only includes support for numpy 2. This...

dependencies

Bumps [h5py](https://github.com/h5py/h5py) from 3.10.0 to 3.11.0. Commits 2c80981 Merge pull request #2405 from takluyver/rever-3.11 76afe10 Add HDF5 1.14.4 fixes to release notes 0090479 Merge pull request #2406 from ajelenak/libhdf5-1.14.4 0f071a4...

dependencies

Bumps [joblib](https://github.com/joblib/joblib) from 1.3.2 to 1.4.0. Release notes Sourced from joblib's releases. Joblib 1.4.0 What's Changed FIX raise iterator exception in user's thread by @​tomMoral in joblib/joblib#1491 MAINT: Update byte_bounds...

dependencies