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atomate2_other_forcefields

atomate2 with more forcefields

PythonEmerging

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8

Last push

2mo ago

Recent commits

Latest commits.

Bump pytest from 9.0.2 to 9.0.3
44fd9b1dependabot[bot]2mo ago
Bump openmm from 8.5.0 to 8.5.1 (#1457)
42cca71dependabot[bot]2mo ago
MLFF dependency groups (#1455)
ffe658eAaron Kaplan2mo ago
[WIP] Job execution tutorial (#773)
e5c2f07Matthew Evans2mo ago
Update ase requirement from <3.28.0 to <3.29.0 (#1432)
5124534dependabot[bot]2mo ago

Bump mattersim from 1.2.1 to 1.2.2 (#1454)

ca4d039dependabot[bot]2mo ago

Bump fireworks from 2.1.2 to 2.1.3 (#1453)

0e7db6edependabot[bot]2mo ago

Bump torch from 2.2.0 to 2.11.0 (#1445)

58924f2dependabot[bot]3mo ago

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dependabot[bot]