11 Pull requests merged by 5 people

• fix doc deployment

  #1084 merged Mar 27, 2025

• Add documentation for using quacc with OMat models and huggingface

  #1070 merged Mar 25, 2025

• add split info to metadata

  #1080 merged Mar 25, 2025

• gemnet-oc molecules support

  #1075 merged Mar 24, 2025

• Reducer

  #1069 merged Mar 22, 2025

• support for direct slab inputs

  #1064 merged Mar 22, 2025

• Fix tensorboard logger

  #1074 merged Mar 22, 2025

• more config fixes

  #1077 merged Mar 21, 2025

• Add fix gp grad

  #1067 merged Mar 21, 2025

• wandb log pandas dataframes

  #1076 merged Mar 21, 2025

• OC20 configs + doc fix

  #1011 merged Mar 21, 2025

3 Pull requests opened by 3 people

• some basic fwd bwd tests

  #1082 opened Mar 25, 2025

• Config descriptors

  #1083 opened Mar 26, 2025

• Docs reorg

  #1085 opened Mar 27, 2025

12 Issues closed by 6 people

• How to combine OC22 and OC20 dataset for model training using fairchem?

  #1026 closed Mar 25, 2025

• OMAT-DFT labels for the WBM test set.

  #1022 closed Mar 25, 2025

• What do i need to retrain a model for a specific interaction?

  #1063 closed Mar 25, 2025

• list of which bulk structures in OC20 correspond to which distribution

  #1079 closed Mar 24, 2025

• Cannot find the bulks.pkl file

  #1041 closed Mar 24, 2025

• Checking formlua for adsorption energy calculation

  #1062 closed Mar 24, 2025

• ModuleNotFoundError: No module named 'fairchem.core'

  #982 closed Mar 24, 2025

• Export `escn_l6_m2_lay12_2M_s2ef_export_cuda_9182024` using aot_inductor

  #1000 closed Mar 23, 2025

• Questions about DFT calculation of OMat24

  #1071 closed Mar 22, 2025

• AdsorbML: using slab without bulk information?

  #1021 closed Mar 22, 2025

• Problem in reading the LMDB dataset

  #979 closed Mar 22, 2025

• checkpoint.pt for OMat24 eqV2 Fine Tuning

  #1073 closed Mar 21, 2025

3 Issues opened by 3 people

• Question on the OC20NEB dataset

  #1086 opened Mar 27, 2025

• Can't run the tutorial code

  #1081 opened Mar 25, 2025

• Question: eSEN-30M-OAM will be available soon?

  #1078 opened Mar 21, 2025

7 Unresolved conversations

Sometimes conversations happen on old items that aren’t yet closed. Here is a list of all the Issues and Pull Requests with unresolved conversations.

• EquiformerV2Backbone has surprisingly large equivariance error

  #1068 commented on Mar 20, 2025 • 0 new comments

• AssertionError: 'coefficient' is not defined in the energy loss config {'fn': 'mae'}.

  #1028 commented on Mar 22, 2025 • 0 new comments

• Atomic energies for OMAT24

  #1054 commented on Mar 24, 2025 • 0 new comments

• Issue in ML NEB Run (cattsunami)

  #946 commented on Mar 25, 2025 • 0 new comments

• Error importing Open Catalyst 2022 LMDB files

  #1031 commented on Mar 25, 2025 • 0 new comments

• What is the energy reference of OCPCalculator ?

  #1036 commented on Mar 26, 2025 • 0 new comments

• remove segment_csr / segment_coo dependency

  #1052 commented on Mar 20, 2025 • 0 new comments