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Fix bug in ec_reaction sweep
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Sweep could not be created due to a repeated parameter.

Additionally, we do not want to include 'esm' models in these sweeps and want to run a separate sweep for them.
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chaitjo authored Jan 22, 2024
1 parent 81e7100 commit ca83545
Showing 1 changed file with 1 addition and 4 deletions.
5 changes: 1 addition & 4 deletions proteinworkshop/config/sweeps/ec_reaction.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -13,10 +13,7 @@ parameters:
values: [ec_reaction]

encoder:
values: [schnet, gear_net_edge, egnn, gcpnet, tfn, mace, esm]

optimiser.optimizer.lr:
values: [0.0001, 0.001]
values: [schnet, gear_net_edge, egnn, gcpnet, tfn, mace]

features:
values: [ca_base, ca_seq, ca_angles, ca_bb, ca_sc]
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