atomate2 0.1.5

v0.1.5

on Python PyPI

New Features 🎉

• Batched workflows for TorchSim by @akwarii in #1505

Documentation 📖

• Update contributors list by @akwarii in #1508

House-Keeping 🧹

• Update FF dependencies. by @shyuep in #1495

Other Changes

• Bump nequip from 0.17.1 to 0.18.0 by @dependabot[bot] in #1488
• Bump nequip-allegro from 0.8.2 to 0.8.3 by @dependabot[bot] in #1487
• Bump monty from 2026.2.18 to 2026.5.18 by @dependabot[bot] in #1485
• Bump jupyterlab from 4.5.7 to 4.5.8 by @dependabot[bot] in #1491
• Bump ipython from 9.13.0 to 9.14.1 by @dependabot[bot] in #1492
• Bump myst-parser from 5.0.0 to 5.1.0 by @dependabot[bot] in #1482
• Bump openmm from 8.5.1 to 8.5.2 by @dependabot[bot] in #1493
• Bump jupyterlab from 4.5.8 to 4.5.9 by @dependabot[bot] in #1496
• Bump sevenn from 0.12.1 to 0.13.0 by @dependabot[bot] in #1498
• Bump jupyterlab from 4.5.9 to 4.6.0 by @dependabot[bot] in #1497
• Bump mace-torch from 0.3.15 to 0.3.16 by @dependabot[bot] in #1499
• Bump wandb from 0.24.0 to 0.27.2 by @dependabot[bot] in #1502
• Bump pytest from 9.0.3 to 9.1.1 by @dependabot[bot] in #1501
• Bump calorine from 3.3 to 3.4 by @dependabot[bot] in #1503
• Bump wandb from 0.27.2 to 0.28.0 by @dependabot[bot] in #1507
• Bump ipython from 9.14.1 to 9.15.0 by @dependabot[bot] in #1506
• Bump jupyterlab from 4.6.0 to 4.6.1 by @dependabot[bot] in #1509
• Update setuptools requirement from <83,>=42 to >=42,<84 by @dependabot[bot] in #1510
• Bump matgl from 4.0.2 to 4.0.3 by @dependabot[bot] in #1511

New Contributors

• @akwarii made their first contribution in #1505

Full Changelog: v0.1.4...v0.1.5