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Meeting Feb 5th 2021 at 2pm UK time at https://ucl.zoom.us/j/92800004715. This page follows on from #54 .
Recording is [here](https://youtu.be/-BgRkYcIo14).
On the call:
1. **Screening**
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I am trying to predict molecular properties using a pre-traind model. Howeber, I find that the predicted values are changing with a different number of input molecules and a different batchsize parame…
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Hi *,
recently, @dcarralma provided me with some normalized ontologies that were produces using this normalizer.
In some cases, for subclass axioms the normalizer produces nestes intersections o…
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**Is your feature request related to a problem? Please describe.**
I repeatedly hear from users that have erased the chemical information in their molecule (transforming into something like an XYZ or…
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[eChem: A notebook exploration of quantum chemistry](https://chemrxiv.org/engage/chemrxiv/article-details/62d1764827b1e447bb3c47b1)
[AutoSolvate](https://aip.scitation.org/doi/abs/10.1063/5.0084833)
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reported by: @CloudyLex
```
Title:
A new and simple approach to determine the abundance of hydrogen molecules on interstellar ice mantles
Authors:
Hincelin, U.; Chang, Q.; Herbst, E.
Affiliation…
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> I've used your simulations for years in my classroom and I've always been so pleased with them. I recently noticed you have an accessibility tab that links to all of the simulations with accessibili…
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Why is http://ops.rsc.org/Compounds/Get/56927 a charge unsensitive parent of http://ops.rsc.org/Compounds/Get/56926? As OPS56926 has a quarternary Nitrogen, it needs the removal of a methyl group to g…
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For a typical electron collision process in plasma,
ex.
e + N2 -> e + N2*
the energy is provided by the electron instead of gas. The electron temperature is different from gas due to low momentum…
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**Is your feature request related to a problem? Please describe.**
Many engineer hours have been spent over the years wrestling with ambiguous, plausibly incorrect, or otherwise confusing molecul…