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Pull requests: materialsproject/atomate2
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Bump matgl from 2.0.4 to 2.0.6 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1356 opened Dec 22, 2025 by dependabot bot Loading…
Bump furo from 2025.9.25 to 2025.12.19 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1355 opened Dec 22, 2025 by dependabot bot Loading…
Clean up structure/molecule aliases in ASE / MLFF jobs
#1354 opened Dec 18, 2025 by esoteric-ephemera Loading…
Bump sevenn from 0.10.4 to 0.12.0 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1352 opened Dec 15, 2025 by dependabot bot Loading…
Bump deepmd-kit from 2.2.11 to 3.1.2 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1350 opened Dec 15, 2025 by dependabot bot Loading…
Bump tensorflow-cpu from 2.16.2 to 2.20.0 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1345 opened Dec 8, 2025 by dependabot bot Loading…
Bump pytest from 8.4.2 to 9.0.2 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1343 opened Dec 8, 2025 by dependabot bot Loading…
[WIP] Fix relax_maker=None in MagneticOrderingsMaker
#1339 opened Dec 3, 2025 by tawe141 Loading…
5 tasks
Bump torch from 2.2.0 to 2.9.1 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1331 opened Nov 17, 2025 by dependabot bot Loading…
Bump pytest from 8.4.2 to 9.0.1 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1330 opened Nov 17, 2025 by dependabot bot Loading…
Auto-update pre-commit hooks dependencies Pull requests that update a dependency file
#1323 opened Nov 1, 2025 by github-actions bot Loading…
Bump chgnet from 0.3.8 to 0.4.2 dependencies Pull requests that update a dependency file python Pull requests that update python code
#1302 opened Sep 29, 2025 by dependabot bot Loading…
Faster Phonon Forcefield Workflow By Introducing Batch ASEMakers (especially relevant for remote execution)
#1196 opened May 6, 2025 by naik-aakash Loading…
Add MACE force field support for OpenMM simulations
#1113 opened Jan 27, 2025 by orionarcher Loading…
5 tasks done
Add MatterSim, Allegro and OCP models (Improvements to existing features forcefields Forcefield related
fairchem-core) to ase_calculators enhancement #1079 opened Dec 7, 2024 by janosh Loading…
[WIP] Lattice dynamics workflow using hiPhive
#1062 opened Nov 22, 2024 by hrushikesh-s Loading…
5 tasks done
Add support for
template_molecule to allow charged molecules in classical MD workflows #1023 opened Oct 27, 2024 by orionarcher Loading…
5 tasks done
Bump torchdata from 0.7.1 to 0.8.0 dependencies Pull requests that update a dependency file
#1000 opened Sep 30, 2024 by dependabot bot Loading…
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