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mlip-arena

Running

@@ -84,6 +84,7 @@ ORB:
   gpu-tasks:
     - homonuclear-diatomics
     - combustion
   github: https://github.com/orbital-materials/orb-models
   doi:
   date: 2024-09-03

   gpu-tasks:
     - homonuclear-diatomics
     - combustion
+    - stability
   github: https://github.com/orbital-materials/orb-models
   doi:
   date: 2024-09-03

mlip_arena/tasks/combustion/alignn/hydrogen.json CHANGED Viewed

	@@ -1 +1,3 @@
1	- ~~[{"formula":"ALIGNN_H256O128","reaction":"hydrogen","method":"ALIGNN","natoms":384,"total_time_seconds":6164~~.~~61108,"total_steps":5000,"target_steps":2000000,"steps_per_second":0~~.8110811753,"seconds_per_step":1.232922216,"timesteps":[999,1999,2999,3999,4999,5999,6998,7997,8996],"nproducts":[3,1,3,1,3,1,1,5,1],"temperatures":[313.0468146165,301.8534691837,310.4575158955,313.9334209657,320.7933195045,323.9382054092,331.8809755899,322.2083052805,342.1133398233],"pressures":[],"seconds_per_step_per_atom":0.0032107349}]

+version https://git-lfs.github.com/spec/v1
+oid sha256:575dcb76e8cceccadaef2ff40ffbd68351db45e2d9d19e7a13d992bf8a1a1cbc
+size 519

mlip_arena/tasks/combustion/chgnet/hydrogen.json CHANGED Viewed

	@@ -1 +1,3 @@
1	- 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