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Pull requests: Quantum-Accelerators/quacc

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Pull requests list

Bump matgl from 2.1.1 to 2.2.1 dependencies Dependency update or issue python Pull requests that update Python code
#3218 opened Apr 28, 2026 by dependabot Bot Loading…
1
Bump parsl from 2026.4.13 to 2026.4.27 dependencies Dependency update or issue python Pull requests that update Python code
#3217 opened Apr 28, 2026 by dependabot Bot Loading…
1
Bump typer from 0.24.1 to 0.25.0 dependencies Dependency update or issue python Pull requests that update Python code
#3216 opened Apr 28, 2026 by dependabot Bot Loading…
1
Bump atomate2 from 0.1.1 to 0.1.2 dependencies Dependency update or issue python Pull requests that update Python code
#3215 opened Apr 28, 2026 by dependabot Bot Loading…
1
Bump prefect from 3.6.27 to 3.6.28 dependencies Dependency update or issue python Pull requests that update Python code
#3214 opened Apr 28, 2026 by dependabot Bot Loading…
1
Bump phonopy from 3.5.0 to 3.5.1 dependencies Dependency update or issue python Pull requests that update Python code
#3213 opened Apr 28, 2026 by dependabot Bot Loading…
1
Bump conda-incubator/setup-miniconda from 3 to 4 dependencies Dependency update or issue github_actions Pull requests that update GitHub Actions code
#3212 opened Apr 28, 2026 by dependabot Bot Loading…
1
Fix fairchem module import condition
#3211 opened Apr 27, 2026 by Andrew-S-Rosen Member Loading…
Use fairchem-data-omc in the fairchem recipes
#3203 opened Apr 17, 2026 by Andrew-S-Rosen Member Loading…
1
WIP: prefect_submitit
#3202 opened Apr 16, 2026 by vineetbansal Collaborator • Draft
3 tasks
1
Bump sella from 2.3.5 to 2.4.2 dependencies Dependency update or issue python Pull requests that update Python code
#3189 opened Mar 30, 2026 by dependabot Bot Loading…
1
Recipes calling relax/static jobs now return a dict
#3158 opened Mar 2, 2026 by vineetbansal Collaborator Loading…
5
Formation energies in ML potentials
#3122 opened Jan 28, 2026 by zulissimeta Contributor Loading…
3 tasks done
8
Add support for batched fairchem inference for many parallel jobs
#3121 opened Jan 27, 2026 by zulissimeta Contributor • Draft
3 tasks done
3
Update newtonnet version to 2.0.1
#3054 opened Dec 11, 2025 by Andrew-S-Rosen Member Loading…
1
[WIP] Add support for AiiDA help wanted
#3007 opened Nov 8, 2025 by Andrew-S-Rosen Member Loading…
3 tasks done
1
enforcing or not relax_cell in elastic tensor flow
#2735 opened Mar 28, 2025 by lbluque Contributor • Draft
2 of 3 tasks
1
1
Add Adsorbml recipe for MLPs
#2732 opened Mar 26, 2025 by zulissimeta Contributor Loading…
3 of 5 tasks
1
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