Discussions

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  Fairchem and cuEquivariance

  husakm started Nov 9, 2025 in Ideas

  

  

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  Using local file as a model

  husakm67-blip asked Nov 5, 2025 in Q&A · Answered

  

  

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  Isolated _Ionic_ Reference Energies for OMol25?

  kavanase asked Oct 30, 2025 in Q&A · Unanswered

  

  

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  Fine tuning OC25 model

  Alexandrina-Chen started Oct 14, 2025 in General

  

  

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  Calculation of referenced energies for error eval of heterogeneous catalyst systems in UMA

  bwander-sbaq started Sep 30, 2025 in General · Closed

  

  

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  Finetuning on a dataset with different DFT settings.

  hmcghee22 asked Aug 26, 2025 in Q&A · Unanswered

  

  

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  No tutorial on finetuning procedure

  Asif-Iqbal-Bhatti started Aug 13, 2025 in General

  

  

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  OC20 bare slab energies

  R1j1t asked Aug 11, 2025 in Q&A · Closed · Answered

  

  

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  VASP parameters for oriented unit cell calculations in OCx24

  bwander-sbaq started Jul 29, 2025 in General · Closed

  

  

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  Getting embeddings for models

  R1j1t started Jul 2, 2025 in General · Closed

  

  

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  Access to oxide bulk PBE energies for OC22

  R1j1t started Jul 22, 2025 in General · Closed

  

  

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  Does OMol25 contain the optimized geometries?

  elijahjibben started Jul 14, 2025 in General · Closed

  

  

  

  

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  Improving GPU usage for molecule optimization

  and-tos asked Jul 12, 2025 in Q&A · Answered

  

  

  

  

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  Dataset to .sdf conversion

  Jsandhu823 asked Jul 9, 2025 in Q&A · Closed · Unanswered

  

  

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  Cannot download OCP pretrained weights, need help!

  han0981121 asked Jul 8, 2025 in Q&A · Unanswered

  

  

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  About OMat24 dataset

  Asif-Iqbal-Bhatti started Jun 30, 2025 in General

  

  

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  EquiformerV2 Success Rate for AdsorbML

  hoon-ock asked Jun 5, 2025 in Q&A · Closed · Unanswered

  

  

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  LMDBdataset uses too much CPU

  MSJavaScript asked Jul 3, 2025 in Q&A · Answered

  

  

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  Report about clusterscope, or slurm related error when fine-tuning uma: keyword 'scontrol'

  ytkkk started Jul 7, 2025 in General · Closed

  

  

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  How to get energy of optimized molecule

  and-tos asked Jul 1, 2025 in Q&A · Answered

  

  

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  ForceNET implementation?

  arnaou asked Jun 17, 2025 in Q&A · Answered

  

  

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  Inquiry Regarding CC-BY 4.0 License and Usage Restrictions

  SyntaxSmith asked Jun 15, 2025 in Q&A · Closed · Unanswered

  

  

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  On sharing S2EF's per-adsorbate trajectories for test dataset

  jihoonkim2000 asked May 22, 2025 in Q&A · Answered

  

  

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  Metal Oxides (OC22) in UMA or FAIRChem v2?

  rwest asked Jun 9, 2025 in Q&A · Answered

  

  

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  Screening small organic molecules from OMol25

  amireskanlou asked Jun 4, 2025 in Q&A · Closed · Answered

  

  

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