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- I am an ELNer user and ELN admin
# Description
I just imported some chemicals exported from another chemical inventory to an inventory in Chemotion ELN. Did the excel based mapping of the expo…
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Hi, I'm trying to run the command: polygon generate \
--model_path ../data/pretrained_vae_model.pt \
--scoring_definition scoring_definition.csv \
--max_len 100 \
--n_epochs 200 \
…
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I'd like to suggest some changes to have more control over the JEI recipe screen as right now the space provided quite limiting.
Suggested changes:
- Shrink Fluid, Chemical & Source Displays to be t…
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New paper from Open AI that uses meta-learning to do hierarchical reinforcement learning. This could be very useful for complicated biological/chemical problems where action spaces are large. Plus, th…
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Thank you for creating this valuable tool. I'm wondering how I can visualize the database I've created following the documentation. Also, could you please summarize the variations I can expect in the …
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### Impacted sections
Might need a new section under "best practices" heading?
- https://uncefact.github.io/spec-untp/docs/specification/DigitalProductPassport
### Issue Description
How …
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[Orchestra C++ repository](https://github.com/hansmeeussen/orchestra_cpp/blob/main/orchestrabenchmark.cpp)
[DONUT benchmark](http://www.meeussen.nl/orchestra/DONUT_ORCHESTRA_benchmark.zip)
Orchest…
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@mitchellmanware
When running `beethoven` pipeline in 2022, I found that one (or more) of GEOS-CF chemical file was downloaded incompletely (i.e., the file causing the error was 2MB, which is only…
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Dear All,
I train ALIGNN with cif files. To improve the performance, I tried to augment my cif files with AugLiChem library. Here is the snippet from the original file and the augmented cif file:
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### Question
I am trying the predict chemical reaction rates in different solvent combinations. I want to use SEBO because the parameter space can contain upto 30 solvents and in most cases the there…