Discussions

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  Question about hyperparameter selection during testing

  KIKO-9 asked Oct 11, 2025 in Q&A · Answered

  

  

  

  

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  How to obtain all the metrics to create the model_name.yml file?

  rgiro asked May 22, 2025 in Q&A · Closed · Answered

  

  

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  How to calculate Combined Performance Score?

  yzchen08 asked Apr 15, 2025 in Q&A · Answered

  

  

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  Inquiry Regarding Fine-Tuning Pretrained SOTA Models in the Competition

  lavenderwfy started Mar 18, 2025 in Ideas

  

  

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  Is there a method to quickly assess a new CSV with predictions?

  rydeveraumn started Feb 28, 2025 in General

  

  

  

  

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  MPtrj on jsonl format

  TheCutestCat started Mar 3, 2025 in General

  

  

  

  

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  Benchmark procedure for LTC task

  lan496 started Jan 26, 2025 in General

  

  

  

  

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  Finding the thermodynamic stability for the doped compounds through ML models.

  sachin-rangaswamy asked Nov 16, 2024 in Q&A · Unanswered

  

  

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  How to get the formation energy per atom for WBM dataset?

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  rydeveraumn asked Dec 7, 2024 in Q&A · Unanswered

  

  

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  Replacing submitted model

  new model Model submission

  YutackPark asked Dec 2, 2024 in Q&A · Answered

  

  

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  Why is the SchNet model not included in that list?

  Asif-Iqbal-Bhatti started Nov 25, 2024 in General

  

  

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  Question on reproducing the results

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  anyangml asked Sep 29, 2024 in Q&A · Answered

  

  

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  Different training size for benchmarking

  discussion Needs discussion help Q&A support issues

  knc6 asked Dec 3, 2023 in Q&A · Answered

  

  

  

  

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  Question about the newest benchmark results

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  295825725 asked Mar 21, 2024 in Q&A · Closed · Answered

  

  

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  E_hull prediction and E_form prediction with code build_phase_diagram.py

  RyotaroOKabe asked Mar 8, 2024 in Q&A · Unanswered

  

  

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  Question about the problem encountered in "Cubic Crystal Test.ipynb" under the "examples" folder in the original M3GNet

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  Claudia-Hello asked Mar 12, 2024 in Q&A · Closed · Answered

  

  

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  Issues in calculating E_hull of matrials containing specific elements

  data Data loading and processing reproducibility Issues or improvements to reproducibility

  RyotaroOKabe asked Mar 8, 2024 in Q&A · Answered

  

  

  

  

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  About the difference between the csv file I produced using file "test_chgnet.py" and the csv file under the chgnet folder

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  Claudia-Hello asked Mar 7, 2024 in Q&A · Closed · Answered

  

  

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  “Convex hull and its distance” in the paper "Matbench Discovery An evaluation framework for machine learning crystal stability prediction"

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  Claudia-Hello asked Feb 29, 2024 in Q&A · Closed · Answered

  

  

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  Question about the dgl package under the cuda version

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  Claudia-Hello asked Feb 27, 2024 in Q&A · Closed · Answered

  

  

  

  

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  Cleaned Data

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  sebastianecheverrir asked Feb 2, 2024 in Q&A · Closed · Answered

  

  

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  Can I predict elastic constant through this?

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  tngksldia asked Jan 30, 2024 in Q&A · Closed · Answered

  

  

  

  

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  Question about the variables ("e_form_2000" and "e_form_500") in "analyze_chgnet.py" file

  bug Something isn't working

  Claudia-Hello asked Jan 30, 2024 in Q&A · Closed · Answered

  

  

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  Question about the "direct_url.json" file

  bug Something isn't working pkg PyPI package related

  Claudia-Hello asked Jan 28, 2024 in Q&A · Closed · Answered

  

  

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