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Update README.md

mariogeigerpushed 1 commit to main • 9601cbb…4b899de • 
on Oct 4, 2023

add ase calculator code

ilyes319created ipu-mace • 9601cbb • 
on Sep 19, 2023

add ase calculator code

ilyes319pushed 1 commit to main • 67b9d4c…9601cbb • 
on Jul 20, 2023

add ase calculator

ilyes319pushed 1 commit to main • 42bd6b4…67b9d4c • 
on Jul 20, 2023

add ParallelLoader

mariogeigerpushed 1 commit to main • be82f6b…42bd6b4 • 
on Jul 12, 2023

uber loss

mariogeigerpushed 1 commit to main • 042a21f…be82f6b • 
on Jul 8, 2023

compute_average_E0s_from_species

mariogeigerpushed 1 commit to main • 431390e…042a21f • 
on Jul 7, 2023

fix recent changes

mariogeigerpushed 1 commit to main • 273a22b…431390e • 
on Jun 23, 2023

isolate pmap

mariogeigercreated pmap_isolated • 0753663 • 
on Jun 1, 2023

move pmap out

mariogeigerpushed 1 commit to main • 55def9b…273a22b • 
on Jun 1, 2023

device parallel

mariogeigerpushed 1 commit to main • 2339ac8…55def9b • 
on Jun 1, 2023

add z_map

mariogeigerpushed 1 commit to main • e5e0878…2339ac8 • 
on May 12, 2023

docstrings

mariogeigerpushed 1 commit to main • 5edaff9…e5e0878 • 
on May 12, 2023

docstring

mariogeigerpushed 1 commit to main • 59b30f0…5edaff9 • 
on May 12, 2023

Merge branch 'main' of github.com:ACEsuit/mace-jax

mariogeigerpushed 2 commits to main • 605c645…59b30f0 • 
on Apr 7, 2023

add option skip_connection_first_layer

mariogeigerpushed 1 commit to main • 9fb8ed2…605c645 • 
on Mar 23, 2023

change black options

mariogeigerpushed 1 commit to main • 009b7a6…9fb8ed2 • 
on Mar 18, 2023

clean code

mariogeigerpushed 1 commit to main • bde5097…009b7a6 • 
on Mar 17, 2023

vector IrrepsArray

mariogeigerpushed 1 commit to main • a39b84e…bde5097 • 
on Mar 15, 2023

add no grad to params during md

ilyes319pushed 1 commit to torch_compatible • 5e76136…c227f09 • 
on Mar 15, 2023

Update mace_jax_md.py

ilyes319pushed 1 commit to torch_compatible • a3e5ee1…5e76136 • 
on Mar 15, 2023

add scaled positions for NPT

ilyes319pushed 1 commit to torch_compatible • b71cacf…a3e5ee1 • 
on Mar 14, 2023

move cell to setup

ilyes319pushed 1 commit to torch_compatible • 06e5c07…b71cacf • 
on Mar 14, 2023

change the mass

ilyes319pushed 1 commit to torch_compatible • e07cf22…06e5c07 • 
on Mar 14, 2023

add jax_md npt

ilyes319pushed 1 commit to torch_compatible • 916016d…e07cf22 • 
on Mar 14, 2023

pad graph in calculator

ilyes319pushed 1 commit to torch_compatible • 6c5e561…916016d • 
on Mar 14, 2023

fixed species normalization

ilyes319pushed 1 commit to torch_compatible • e5927a7…6c5e561 • 
on Mar 14, 2023

fix species bug

ilyes319pushed 1 commit to torch_compatible • 48cc807…e5927a7 • 
on Mar 13, 2023

push sh in the model

mariogeigerpushed 1 commit to main • 09a999e…a39b84e • 
on Mar 13, 2023

update the constant

ilyes319pushed 1 commit to torch_compatible • ef3286d…48cc807 • 
on Mar 13, 2023