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Pull requests: duartegroup/mlp-train

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Pull requests list

Timeout Functionality
#176 opened Oct 29, 2025 by martinzola Loading…
1
Add Cueq
#175 opened Oct 24, 2025 by juraskov Loading…
1
Added a line to end of run_mlp_md function
#173 opened Oct 22, 2025 by charlielutra Loading…
1
Added npz_to_xyz function to utils.py
#172 opened Oct 21, 2025 by charlielutra Loading…
3
add argument in MACE to turn on naive/multihead fine-tuning especiall…
#171 opened Oct 15, 2025 by ShichenD Loading…
5
2D PES Function
#170 opened Sep 3, 2025 by JoeHolownia • Draft
Test docker
#168 opened Aug 22, 2025 by juraskov • Draft
1
ACE_descriptor_add_up
#157 opened Jun 17, 2025 by zoehengyi668 Loading…
1
redefine the kernel similarity here
#156 opened Jun 17, 2025 by zoehengyi668 Loading…
1
Add support for containers
#155 opened Jun 12, 2025 by jackleland Loading…
2
Keep QM output files
#147 opened May 29, 2025 by juraskov Loading…
4 tasks done
1
Implement maximum time limit for dynamics simulations and submitted processes for gen_active_config
#144 opened May 19, 2025 by jackleland Loading…
15
WIP: Update ACE to ACEpotentials 0.6.9
#132 opened Feb 14, 2025 by juraskov • Draft
1 of 6 tasks
1
ProTip! Updated in the last three days: updated:>2025-10-31.