add nequip support #304
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add nequip support #304
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| @@ -48,13 +48,15 @@ sevenn = { version = "0.9.3", optional = true } | |||
| torchdata = {version = "0.7.1", optional = true} # Pin due to dgl issue | |||
| torch_geometric = { version = "^2.5.3", optional = true } | |||
| ruff = "^0.5.7" | |||
| nequip = {version = "^0.6.1", optional = true } | |||
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| nequip = {version = "^0.6.1", optional = true } | |
| nequip = {version = "0.6.1", optional = true } |
Probably best to pin like the other MLIPs to avoid API/dependency breaking changes?
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