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Dear xtb developers,
I am trying to use xtb version 6.2 to optimize the geometry of a MoS2 model system and always get the error message:
```
#ERROR! (goedecker_solve) DSYSV failed
abnormal te…
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- [x] Create page
- [x] Add description of what is being covered
- [x] Add description of checks required on this content, compiled from current protocol documents
- [x] Add examples covering corr…
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**Submitting author:** @dap-biospec (Denis Proshlyakov)
**Repository:** https://github.com/dap-biospec/KinESim
**Version:** v1.6.8g
**Editor:** @kyleniemeyer
**Reviewers:** @usethedata, @faustincarter…
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**Submitting author:** @georgiewellock (Georgina Wellock)
**Repository:** https://github.com/bjmorgan/pyscses
**Version:** v1.0.0
**Editor:** @labarba
**Reviewer:** @ncclementi, @vyasr
**Archive:** 10…
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**Submitting author:** @dap-biospec (Denis Proshlyakov)
**Repository:** https://github.com/dap-biospec/KinESim
**Version:** v1.6.8g
**Editor:** @kyleniemeyer
**Reviewers:** @usethedata, @faustincarter…
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@edwintse and @maratsydney have been reading up on the current malaria pipeline as part of their graduate studies. We had the idea recently of writing up some of this work as a useful, short review - …
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A word2vec variants for molecules. Might be good to get an implementation into DeepChem
https://chemrxiv.org/articles/Mol2vec_Unsupervised_Machine_Learning_Approach_with_Chemical_Intuition/5513581
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Our very open and/or inconsistent licensing (if left to authors) may make other journals unwilling to grant permission for reprinting figures. This could prove a hassle for some authors, particularly…