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Ref to https://github.com/SciML/Catalyst.jl/issues/264
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https://arxiv.org/pdf/1708.04202.pdf
Monte Carlo Tree Search to discovery Synthetic Routes. Was published in Nature today.
We already have a start with MCTS class. This is a very interesting p…
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If we only have the reaction
'CH2:15[Mg+:19].[CH2:20]1[O:21][CH2:22][CH2:23][CH2:24]1.[Cl-:14].[OH:1][c:2]1[n:3][cH:4]c:5[cH:12][cH:13]1>>[OH:1][c:2]1[n:3][cH:4]c:5[cH:12][cH:13]1 ' ,
how can we g…
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Pose a question about one of the following articles:
“[Online images amplify gender bias](https://www.nature.com/articles/s41586-024-07068-x),” 2024. Guilbeault, Douglas, Solène Delecourt, Tasker …
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Hi,
I'm not entirely sure, if this is the right place to discuss this. if not it would be great if someone could point me to the appropriate place.
I'm currently thinking about SBML IO and SBML Id…
tpfau updated
6 years ago
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I thought this one was reported, but didn't actually find it anywhere. This is both a silent error (not just a crash), and something that we have Catalyst users that report errors with, so would be go…
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Programming Historian in English has received a proposal for a lesson, "Simulations in historical research: How to create an agent-based model of communication networks" by @merrygin and @maltevogl.
…
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```
Cantera is a software for solving detailed gas phase kinetics. It also has a
good framework to implement solution of reactor networks. This specific
application of cantera would be useful in che…
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It would be nice to implement various algorithms for qualitative analysis of chemical reaction networks. So, this issue is for brainstorming:
1. What kind of qualitative analyses would you like to …
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OPTIMADE specification v1.0.1 defines a structure as a set of sites, occupied by mixtures of atoms, with each atom described by its chemical type, mass and occupancy (proportion in the mixture). Means…