matgl

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Bumps [rexml](https://github.com/ruby/rexml) from 3.2.5 to 3.2.8. Release notes Sourced from rexml's releases. REXML 3.2.8 - 2024-05-16 Fixes Suppressed a warning REXML 3.2.7 - 2024-05-16 Improvements Improve parse performance by using...

dependabot[bot]

[Feature Request]: Larger than memory datasets.

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### Problem Now that multi-gpu training is working we are very interested in training on some larger crystal structure datasets. However, the datasets do not fit into the RAM. It...

JonathanSchmidt1

LAMMPS interface

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An interface to LAMMPS for MatGL is needed. This can be done in two ways: 1. Using LAMMPS's experimental python plugin infrastructure. See https://github.com/lanl/hippynn/blob/development/hippynn/interfaces/lammps_interface/mliap_interface.py for an example. This would not...

shyuep

Bump numpy from 1.26.4 to 2.0.1

2

Bumps [numpy](https://github.com/numpy/numpy) from 1.26.4 to 2.0.1. Release notes Sourced from numpy's releases. v2.0.1 NumPy 2.0.1 Release Notes NumPy 2.0.1 is a maintenance release that fixes bugs and regressions discovered after...

dependabot[bot]

Bump dgl from 2.1.0 to 2.2.1

1

Bumps [dgl](https://github.com/dmlc/dgl) from 2.1.0 to 2.2.1. Release notes Sourced from dgl's releases. v2.2.1 We're thrilled to announce the release of DGL 2.2.1. 🎉🎉🎉 Major Changes The supported PyTorch versions are...

dependabot[bot]

Bump torch from 2.4.0 to 2.4.1

2

Bumps [torch](https://github.com/pytorch/pytorch) from 2.4.0 to 2.4.1. Release notes Sourced from torch's releases. PyTorch 2.4.1 Release, bug fix release This release is meant to fix the following issues (regressions / silent...

dependabot[bot]