Kevin Spiekermann
Kevin Spiekermann
### Describe the bug Hello wandb team, I'd value help debugging a simple hyperparameter search for an Albert model. My code should be following examples from [link1](https://github.com/wandb/examples/blob/master/colabs/pytorch/Organizing_Hyperparameter_Sweeps_in_PyTorch_with_W%26B.ipynb ), [link2](https://wandb.ai/matt24/vit-snacks-sweeps/reports/Hyperparameter-Search-with-W-B-Sweeps-for-Hugging-Face-Transformer-Models--VmlldzoyMTUxNTg0 ),...
Hello! Thanks for creating this great open source repo! I wanted to discuss some basic questions. I'm not the most familiar with this repo or the example datasets so please...
#### Describe the issue linked to the documentation This issue is intended to start a discussion about the ACSIncome dataset, which is 1 of 5 datasets created and published by...
@am2145 and I refined reactions for an ammonia combustion mechanism in collaboration with @josemvdh. These 8 reactions were calculated at CCSD(T)-F12/cc-pVTZ-F12//B2PLYP-D3/def2-TZVP. Since "No coupled cluster methods based on UHF orbitals...
This PR simply refits the rate tree for `R_Addition_MultipleBond`. I had to change the logic node for `YJ` to `1 *3 R u[1,2,3,4] px` ([source](https://github.com/ReactionMechanismGenerator/RMG-database/blob/treeGenerationTesting/input/kinetics/families/R_Addition_MultipleBond/groups.py#L33-L41 )) before running ATG. The...
Currently rate trees generated from ATG are not refit automatically so they need to be refit whenever new training reactions are added. As a to-do item for the next RMG...
This PR brings a few advancements to the `Intra_RH_Add_Endocyclic` reaction family. The discussion is motivated by this reaction `C=CCC[CH]C=C>>[CH2]C1CCCC=C1` that had matched this template 1. It runs ATG to standardize...
Upon merging 4 models, I wanted to run the merged model further, which required using the `importChemkinLibrary.py` script to convert the newly created `chem.inp` into new thermo and kinetics libraries....
**Is your feature request related to a problem? Please describe.** When using ARC to run Arkane to obtain a rate constant, [ARC](https://github.com/ReactionMechanismGenerator/ARC/blob/master/arc/processor.py#L107-L147) currently has `bac_type=None` for all kinetics calculations so...
Our current time-based splitter only returns one split of the data. If users want multiple time-based splits, they would need to make multiple calls. We could definitely write a short...